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

C29H30N4O3 — CID 141498082

IUPACN-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN3CCCC3)cc2)cc1
InChIInChI=1S/C29H30N4O3/c1-35-24-12-5-20(6-13-24)26-17-21-7-14-25(36-2)18-27(21)32-29(26)31-23-10-8-22(9-11-23)30-28(34)19-33-15-3-4-16-33/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyIHIOVVHOZJZSGK-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.70
Rot. Bonds8

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

N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 141498082) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID141498082
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC NameN-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN3CCCC3)cc2)cc1
InChIInChI=1S/C29H30N4O3/c1-35-24-12-5-20(6-13-24)26-17-21-7-14-25(36-2)18-27(21)32-29(26)31-23-10-8-22(9-11-23)30-28(34)19-33-15-3-4-16-33/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyIHIOVVHOZJZSGK-UHFFFAOYSA-N
XLogP5.70
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-Methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol
CID 135609775
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
(2E)-N-[2-(4-Ethylpiperazin-1-YL)-4-methylquinolin-6-YL]-3-(4-methoxyphenyl)prop-2-enamide
CID 44403742
7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
CID 24805873
7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805874

Frequently Asked Questions

What is the IUPAC name of N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide (CID 141498082) is N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide is COc1ccc(-c2cc3ccc(OC)cc3nc2Nc2ccc(NC(=O)CN3CCCC3)cc2)cc1.
What is the InChIKey of N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is IHIOVVHOZJZSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-35-24-12-5-20(6-13-24)26-17-21-7-14-25(36-2)18-27(21)32-29(26)31-23-10-8-22(9-11-23)30-28(34)19-33-15-3-4-16-33/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide?
N-[4-[[7-methoxy-3-(4-methoxyphenyl)quinolin-2-yl]amino]phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 482.58 g/mol, XLogP of 5.70, 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-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 141498082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).