4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide

C34H30ClN5O3 — CID 89383281

About 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide

4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide (PubChem CID 89383281) has the molecular formula C34H30ClN5O3 and a molecular weight of 592.10 g/mol. Its IUPAC name is 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

• Compound Name: 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide
• PubChem CID: 89383281
• Molecular Formula: C34H30ClN5O3
• Molecular Weight: 592.10 g/mol
• Exact Mass: 591.20
• IUPAC Name: 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide
• SMILES: C=CN(C)/C(=C\N)C(O)(c1ccc(C(=O)Nc2ccncc2)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
• InChI: InChI=1S/C34H30ClN5O3/c1-4-39(2)31(21-36)34(43,24-10-8-22(9-11-24)33(42)38-27-14-16-37-17-15-27)25-12-13-30-29(19-25)28(20-32(41)40(30)3)23-6-5-7-26(35)18-23/h4-21,43H,1,36H2,2-3H3,(H,37,38,42)/b31-21-
• InChIKey: XKKLEBPDYRWZMM-YQYKVWLJSA-N
• XLogP: 5.62
• TPSA: 113.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.10
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide?

The IUPAC name of 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide (CID 89383281) is 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide.

What is the SMILES notation for 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide?

The canonical SMILES for 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide is C=CN(C)/C(=C\N)C(O)(c1ccc(C(=O)Nc2ccncc2)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.

What is the InChIKey of 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide?

The InChIKey is XKKLEBPDYRWZMM-YQYKVWLJSA-N. The full InChI is InChI=1S/C34H30ClN5O3/c1-4-39(2)31(21-36)34(43,24-10-8-22(9-11-24)33(42)38-27-14-16-37-17-15-27)25-12-13-30-29(19-25)28(20-32(41)40(30)3)23-6-5-7-26(35)18-23/h4-21,43H,1,36H2,2-3H3,(H,37,38,42)/b31-21-.

What are the key properties of 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide?

4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide has a molecular weight of 592.10 g/mol, XLogP of 5.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 89383281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).