(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone

C27H28FN3O — CID 5155048

About (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone (PubChem CID 5155048) has the molecular formula C27H28FN3O and a molecular weight of 429.54 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone.

Molecular Properties

• Compound Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone
• PubChem CID: 5155048
• Molecular Formula: C27H28FN3O
• Molecular Weight: 429.54 g/mol
• Exact Mass: 429.22
• IUPAC Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone
• SMILES: CC1CCc2cc(F)ccc2N1C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C
• InChI: InChI=1S/C27H28FN3O/c1-16-9-10-17-15-18(28)11-12-21(17)31(16)24(32)27-14-13-26(4,25(27,2)3)22-23(27)30-20-8-6-5-7-19(20)29-22/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3
• InChIKey: KQPOLIFXIRAERX-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 46.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.54
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?

The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone (CID 5155048) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone.

What is the SMILES notation for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?

The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone is CC1CCc2cc(F)ccc2N1C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C.

What is the InChIKey of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?

The InChIKey is KQPOLIFXIRAERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O/c1-16-9-10-17-15-18(28)11-12-21(17)31(16)24(32)27-14-13-26(4,25(27,2)3)22-23(27)30-20-8-6-5-7-19(20)29-22/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3.

What are the key properties of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone?

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone has a molecular weight of 429.54 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)methanone is sourced from PubChem (CID 5155048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).