6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

C36H40N4O3 — CID 177320155

IUPAC6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESC/C=C\OC(CCCCN(C)C(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cc(C)cc23)cc1)=C(C)C
InChIInChI=1S/C36H40N4O3/c1-7-19-43-33(24(2)3)12-8-9-18-40(6)36(42)27-13-15-29(16-14-27)38-35(41)31-22-32(28-11-10-17-37-23-28)39-34-26(5)20-25(4)21-30(31)34/h7,10-11,13-17,19-23H,8-9,12,18H2,1-6H3,(H,38,41)/b19-7-
InChIKeyDHUWFCWCDCCBHA-GXHLCREISA-N
MW576.74 g/mol
LogP8.25
Rot. Bonds11

About 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 177320155) has the molecular formula C36H40N4O3 and a molecular weight of 576.74 g/mol. Its IUPAC name is 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID177320155
Molecular FormulaC36H40N4O3
Molecular Weight576.74 g/mol
Exact Mass576.31
IUPAC Name6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESC/C=C\OC(CCCCN(C)C(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cc(C)cc23)cc1)=C(C)C
InChIInChI=1S/C36H40N4O3/c1-7-19-43-33(24(2)3)12-8-9-18-40(6)36(42)27-13-15-29(16-14-27)38-35(41)31-22-32(28-11-10-17-37-23-28)39-34-26(5)20-25(4)21-30(31)34/h7,10-11,13-17,19-23H,8-9,12,18H2,1-6H3,(H,38,41)/b19-7-
InChIKeyDHUWFCWCDCCBHA-GXHLCREISA-N
XLogP8.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 177320016
6,8-dimethyl-N-[4-[2-(2-methylprop-1-enoxy)prop-2-enylcarbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 177320161
N-[4-[(2-ethenylsulfanyl-3-methylbut-2-enyl)carbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 177320110
N-[4-[[(Z)-5-amino-3-oxohex-4-enyl]carbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 177320068
6,8-dimethyl-N-[4-[[3-methyl-2-(2-methylbutylideneamino)but-2-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 177320150
6,8-dimethyl-N-[4-[3-(5-methyl-1,3-oxazol-2-yl)propylcarbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 177320073
N-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 177319993
CID 177319650
CID 177319650
2-(2-chlorophenyl)-6,8-dimethyl-N-[4-[methyl-[3-(propan-2-ylideneamino)oxybut-3-enyl]carbamoyl]phenyl]quinoline-4-carboxamide
CID 177320138
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261290
N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 177319821

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 177320155) is 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is C/C=C\OC(CCCCN(C)C(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cc(C)cc23)cc1)=C(C)C.
What is the InChIKey of 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is DHUWFCWCDCCBHA-GXHLCREISA-N. The full InChI is InChI=1S/C36H40N4O3/c1-7-19-43-33(24(2)3)12-8-9-18-40(6)36(42)27-13-15-29(16-14-27)38-35(41)31-22-32(28-11-10-17-37-23-28)39-34-26(5)20-25(4)21-30(31)34/h7,10-11,13-17,19-23H,8-9,12,18H2,1-6H3,(H,38,41)/b19-7-.
What are the key properties of 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 576.74 g/mol, XLogP of 8.25, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-[4-[methyl-[6-methyl-5-[(Z)-prop-1-enoxy]hept-5-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 177320155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).