N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide

C30H32N4O3 — CID 141498083

IUPACN-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESCOc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN3CCCCC3)cc2)cc1
InChIInChI=1S/C30H32N4O3/c1-36-25-13-6-21(7-14-25)27-18-22-8-15-26(37-2)19-28(22)33-30(27)32-24-11-9-23(10-12-24)31-29(35)20-34-16-4-3-5-17-34/h6-15,18-19H,3-5,16-17,20H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyNUYHSGOCUPWAEP-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.09
Rot. Bonds8

About N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide

N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 141498083) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide
PubChem CID141498083
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESCOc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN3CCCCC3)cc2)cc1
InChIInChI=1S/C30H32N4O3/c1-36-25-13-6-21(7-14-25)27-18-22-8-15-26(37-2)19-28(22)33-30(27)32-24-11-9-23(10-12-24)31-29(35)20-34-16-4-3-5-17-34/h6-15,18-19H,3-5,16-17,20H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyNUYHSGOCUPWAEP-UHFFFAOYSA-N
XLogP6.09
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide with MolForge

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Related Compounds

1-Piperazinecarboxamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061443
2-Aminoquinazoline 14
CID 5330312
2-Aminoquinazoline 22
CID 5330320
2-Aminoquinazoline 23
CID 5330321
2-Aminoquinazoline 13
CID 5330330
4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 14069011
4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one
CID 71543088
4-(2-chloroquinazolin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 137645573
4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
CID 137653815
1-(2-Ethoxyphenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 16023475
(2E)-N-[2-(4-Ethylpiperazin-1-YL)-4-methylquinolin-6-YL]-3-(4-methoxyphenyl)prop-2-enamide
CID 44403742
4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-propylpiperazine-1-carboxamide
CID 14069007

Frequently Asked Questions

What is the IUPAC name of N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide (CID 141498083) is N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide is COc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is NUYHSGOCUPWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-36-25-13-6-21(7-14-25)27-18-22-8-15-26(37-2)19-28(22)33-30(27)32-24-11-9-23(10-12-24)31-29(35)20-34-16-4-3-5-17-34/h6-15,18-19H,3-5,16-17,20H2,1-2H3,(H,31,35)(H,32,33).
What are the key properties of N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide?
N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 496.61 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 141498083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).