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

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

6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 177320016) has the molecular formula C35H38N4O3 and a molecular weight of 562.71 g/mol. Its IUPAC name is 6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name	6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID	177320016
Molecular Formula	C35H38N4O3
Molecular Weight	562.71 g/mol
Exact Mass	562.29
IUPAC Name	6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILES	C/C=C\OC(CCCN(C)C(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)cc(C)cc23)cc1)=C(C)C
InChI	InChI=1S/C35H38N4O3/c1-7-18-42-32(23(2)3)11-9-17-39(6)35(41)26-12-14-28(15-13-26)37-34(40)30-21-31(27-10-8-16-36-22-27)38-33-25(5)19-24(4)20-29(30)33/h7-8,10,12-16,18-22H,9,11,17H2,1-6H3,(H,37,40)/b18-7-
InChIKey	OLBQKWFUIKIIMU-WSVATBPTSA-N
XLogP	7.86
TPSA	84.42 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.71
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?

The IUPAC name of 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) is 6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.

What is the SMILES notation for 6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?

The canonical SMILES for 6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is C/C=C\OC(CCCN(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-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?

The InChIKey is OLBQKWFUIKIIMU-WSVATBPTSA-N. The full InChI is InChI=1S/C35H38N4O3/c1-7-18-42-32(23(2)3)11-9-17-39(6)35(41)26-12-14-28(15-13-26)37-34(40)30-21-31(27-10-8-16-36-22-27)38-33-25(5)19-24(4)20-29(30)33/h7-8,10,12-16,18-22H,9,11,17H2,1-6H3,(H,37,40)/b18-7-.

What are the key properties of 6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?

6,8-dimethyl-N-[4-[methyl-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 562.71 g/mol, XLogP of 7.86, 10 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-[5-methyl-4-[(Z)-prop-1-enoxy]hex-4-enyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 177320016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).