6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine

C40H60ClN13O2 — CID 158282611

About 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine

6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine (PubChem CID 158282611) has the molecular formula C40H60ClN13O2 and a molecular weight of 790.46 g/mol. Its IUPAC name is 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine
• PubChem CID: 158282611
• Molecular Formula: C40H60ClN13O2
• Molecular Weight: 790.46 g/mol
• Exact Mass: 789.47
• IUPAC Name: 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine
• SMILES: CCN(C(C)C)C(C)C.CCNN.CCNNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C.Cc1cnc(Nc2ccc3c(c2)CCC(=O)N3)nc1Cl
• InChI: InChI=1S/C16H20N6O.C14H13ClN4O.C8H19N.C2H8N2/c1-3-18-22-15-10(2)9-17-16(21-15)19-12-5-6-13-11(8-12)4-7-14(23)20-13;1-8-7-16-14(19-13(8)15)17-10-3-4-11-9(6-10)2-5-12(20)18-11;1-6-9(7(2)3)8(4)5;1-2-4-3/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,20,23)(H2,17,19,21,22);3-4,6-7H,2,5H2,1H3,(H,18,20)(H,16,17,19);7-8H,6H2,1-5H3;4H,2-3H2,1H3
• InChIKey: GKJWRKAKHMDBNJ-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 199.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	790.46
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine?

The IUPAC name of 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine (CID 158282611) is 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine.

What is the SMILES notation for 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine?

The canonical SMILES for 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine is CCN(C(C)C)C(C)C.CCNN.CCNNc1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C.Cc1cnc(Nc2ccc3c(c2)CCC(=O)N3)nc1Cl.

What is the InChIKey of 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine?

The InChIKey is GKJWRKAKHMDBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O.C14H13ClN4O.C8H19N.C2H8N2/c1-3-18-22-15-10(2)9-17-16(21-15)19-12-5-6-13-11(8-12)4-7-14(23)20-13;1-8-7-16-14(19-13(8)15)17-10-3-4-11-9(6-10)2-5-12(20)18-11;1-6-9(7(2)3)8(4)5;1-2-4-3/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,20,23)(H2,17,19,21,22);3-4,6-7H,2,5H2,1H3,(H,18,20)(H,16,17,19);7-8H,6H2,1-5H3;4H,2-3H2,1H3.

What are the key properties of 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine?

6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine has a molecular weight of 790.46 g/mol, XLogP of 7.01, 11 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chloro-5-methylpyrimidin-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one;ethylhydrazine;6-[[4-(2-ethylhydrazinyl)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-ethyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 158282611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).