2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide

C32H38N6O3 — CID 126572796

IUPAC2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide
SMILESCc1cc(-c2ccc(N3CCN(C)CC3)nc2)c2ccc(C(=O)NCc3c(OC(C)C)cc(C)[nH]c3=O)c(C)c2n1
InChIInChI=1S/C32H38N6O3/c1-19(2)41-28-16-21(4)36-32(40)27(28)18-34-31(39)24-8-9-25-26(15-20(3)35-30(25)22(24)5)23-7-10-29(33-17-23)38-13-11-37(6)12-14-38/h7-10,15-17,19H,11-14,18H2,1-6H3,(H,34,39)(H,36,40)
InChIKeyKCKVJJBMDCADSJ-UHFFFAOYSA-N
MW554.70 g/mol
LogP4.38
Rot. Bonds7

About 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide

2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide (PubChem CID 126572796) has the molecular formula C32H38N6O3 and a molecular weight of 554.70 g/mol. Its IUPAC name is 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide
PubChem CID126572796
Molecular FormulaC32H38N6O3
Molecular Weight554.70 g/mol
Exact Mass554.30
IUPAC Name2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide
SMILESCc1cc(-c2ccc(N3CCN(C)CC3)nc2)c2ccc(C(=O)NCc3c(OC(C)C)cc(C)[nH]c3=O)c(C)c2n1
InChIInChI=1S/C32H38N6O3/c1-19(2)41-28-16-21(4)36-32(40)27(28)18-34-31(39)24-8-9-25-26(15-20(3)35-30(25)22(24)5)23-7-10-29(33-17-23)38-13-11-37(6)12-14-38/h7-10,15-17,19H,11-14,18H2,1-6H3,(H,34,39)(H,36,40)
InChIKeyKCKVJJBMDCADSJ-UHFFFAOYSA-N
XLogP4.38
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.70
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide?
The IUPAC name of 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide (CID 126572796) is 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide.
What is the SMILES notation for 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide?
The canonical SMILES for 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide is Cc1cc(-c2ccc(N3CCN(C)CC3)nc2)c2ccc(C(=O)NCc3c(OC(C)C)cc(C)[nH]c3=O)c(C)c2n1.
What is the InChIKey of 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide?
The InChIKey is KCKVJJBMDCADSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O3/c1-19(2)41-28-16-21(4)36-32(40)27(28)18-34-31(39)24-8-9-25-26(15-20(3)35-30(25)22(24)5)23-7-10-29(33-17-23)38-13-11-37(6)12-14-38/h7-10,15-17,19H,11-14,18H2,1-6H3,(H,34,39)(H,36,40).
What are the key properties of 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide?
2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide has a molecular weight of 554.70 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-[(6-methyl-2-oxo-4-propan-2-yloxy-1H-pyridin-3-yl)methyl]-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-7-carboxamide is sourced from PubChem (CID 126572796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).