1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide

C30H40N4O3 — CID 59397946

IUPAC1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CCN2CCC(NCc3ccc(C(C)(C)C)cc3)CC2)c2cc(OC)ccc12
InChIInChI=1S/C30H40N4O3/c1-30(2,3)22-8-6-21(7-9-22)20-32-23-12-14-33(15-13-23)16-17-34-27-18-24(37-5)10-11-25(27)26(19-28(34)35)29(36)31-4/h6-11,18-19,23,32H,12-17,20H2,1-5H3,(H,31,36)
InChIKeyJEMZLZPATFHWIW-UHFFFAOYSA-N
MW504.68 g/mol
LogP3.92
Rot. Bonds8

About 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide

1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 59397946) has the molecular formula C30H40N4O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide
PubChem CID59397946
Molecular FormulaC30H40N4O3
Molecular Weight504.68 g/mol
Exact Mass504.31
IUPAC Name1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CCN2CCC(NCc3ccc(C(C)(C)C)cc3)CC2)c2cc(OC)ccc12
InChIInChI=1S/C30H40N4O3/c1-30(2,3)22-8-6-21(7-9-22)20-32-23-12-14-33(15-13-23)16-17-34-27-18-24(37-5)10-11-25(27)26(19-28(34)35)29(36)31-4/h6-11,18-19,23,32H,12-17,20H2,1-5H3,(H,31,36)
InChIKeyJEMZLZPATFHWIW-UHFFFAOYSA-N
XLogP3.92
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-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

1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride
CID 67537611
7-methoxy-N-methyl-2-oxo-1-[2-[4-[(4-pyrrolidin-1-ylphenyl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 67537347
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-5-carboxamide;hydrochloride
CID 67539031
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[1-[2-[4-(2-hydroxyethylcarbamoyl)-7-methoxy-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate;1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-N-(2-hydroxyethyl)-7-methoxy-2-oxoquinoline-4-carboxamide
CID 158569939
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one
CID 15985442
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 59398436
7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide
CID 67539164
7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride
CID 67538825
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
(E)-3-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-2-oxoquinolin-4-yl]prop-2-enal
CID 88867620
7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 90766370
N-methyl-2-oxo-1-[2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide;hydrochloride
CID 67539033

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide (CID 59397946) is 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide is CNC(=O)c1cc(=O)n(CCN2CCC(NCc3ccc(C(C)(C)C)cc3)CC2)c2cc(OC)ccc12.
What is the InChIKey of 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is JEMZLZPATFHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O3/c1-30(2,3)22-8-6-21(7-9-22)20-32-23-12-14-33(15-13-23)16-17-34-27-18-24(37-5)10-11-25(27)26(19-28(34)35)29(36)31-4/h6-11,18-19,23,32H,12-17,20H2,1-5H3,(H,31,36).
What are the key properties of 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide?
1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 504.68 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 59397946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).