2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one

C162H182N22O8 — CID 160764083

About 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one (PubChem CID 160764083) has the molecular formula C162H182N22O8 and a molecular weight of 2565.38 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one
• PubChem CID: 160764083
• Molecular Formula: C162H182N22O8
• Molecular Weight: 2565.38 g/mol
• Exact Mass: 2563.45
• IUPAC Name: 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one
• SMILES: CC(C)(C)c1cc2cccnc2[nH]c1=O.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)Nc1nccc2ccncc12.CC(C)Oc1nccc2ccccc12.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2cnccc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2cccnc12.CC(C)c1ncc2ccccc2n1.CC(C)c1nccc2cccnc12
• InChI: InChI=1S/C13H14.C12H14N2O.C12H13NO2.2C12H13NO.2C12H13N.C11H13N3.3C11H12N2O.C11H16N2.2C11H12N2/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-12(2,3)9-7-8-5-4-6-13-10(8)14-11(9)15;1-8(2)13-11(14)7-9-5-3-4-6-10(9)12(13)15;1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-8(2)14-11-10-7-12-5-3-9(10)4-6-13-11;1-7(2)9-5-8-6-12-4-3-10(8)13-11(9)14;1-7(2)9-5-8-3-4-12-6-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-8(2)10-11-9(5-7-13-10)4-3-6-12-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11/h3-10H,1-2H3;4-7H,1-3H3,(H,13,14,15);3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3*3-7H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;2*3-8H,1-2H3
• InChIKey: RYLLHHJWAGHEOI-UHFFFAOYSA-N
• XLogP: 36.55
• TPSA: 416.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.38
LogP ≤ 5	36.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one?

The IUPAC name of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one (CID 160764083) is 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one.

What is the SMILES notation for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one?

The canonical SMILES for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one is CC(C)(C)c1cc2cccnc2[nH]c1=O.CC(C)(C)c1ncc2c(n1)CCC2.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)Nc1nccc2ccncc12.CC(C)Oc1nccc2ccccc12.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2cnccc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2cccnc12.CC(C)c1ncc2ccccc2n1.CC(C)c1nccc2cccnc12.

What is the InChIKey of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one?

The InChIKey is RYLLHHJWAGHEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H14N2O.C12H13NO2.2C12H13NO.2C12H13N.C11H13N3.3C11H12N2O.C11H16N2.2C11H12N2/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-12(2,3)9-7-8-5-4-6-13-10(8)14-11(9)15;1-8(2)13-11(14)7-9-5-3-4-6-10(9)12(13)15;1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-8(2)14-11-10-7-12-5-3-9(10)4-6-13-11;1-7(2)9-5-8-6-12-4-3-10(8)13-11(9)14;1-7(2)9-5-8-3-4-12-6-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10;1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;1-8(2)10-11-9(5-7-13-10)4-3-6-12-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11/h3-10H,1-2H3;4-7H,1-3H3,(H,13,14,15);3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3*3-7H,1-2H3,(H,13,14);7H,4-6H2,1-3H3;2*3-8H,1-2H3.

What are the key properties of 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one?

2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one has a molecular weight of 2565.38 g/mol, XLogP of 36.55, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 160764083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).