3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one

C24H29N5O3 — CID 167963830

IUPAC3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
SMILESCCOc1cc2nccc(NC3CCCN(Cc4ccnc(C)n4)C3=O)c2cc1OCC
InChIInChI=1S/C24H29N5O3/c1-4-31-22-13-18-19(9-11-26-21(18)14-23(22)32-5-2)28-20-7-6-12-29(24(20)30)15-17-8-10-25-16(3)27-17/h8-11,13-14,20H,4-7,12,15H2,1-3H3,(H,26,28)
InChIKeyKTMLFECNAARERF-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.73
Rot. Bonds8

About 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one

3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one (PubChem CID 167963830) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
PubChem CID167963830
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
SMILESCCOc1cc2nccc(NC3CCCN(Cc4ccnc(C)n4)C3=O)c2cc1OCC
InChIInChI=1S/C24H29N5O3/c1-4-31-22-13-18-19(9-11-26-21(18)14-23(22)32-5-2)28-20-7-6-12-29(24(20)30)15-17-8-10-25-16(3)27-17/h8-11,13-14,20H,4-7,12,15H2,1-3H3,(H,26,28)
InChIKeyKTMLFECNAARERF-UHFFFAOYSA-N
XLogP3.73
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one with MolForge

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Related Compounds

(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 95354948
3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 154800759
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501
[1-(6,7-diethoxyquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 75512282
4-[[3-(1,6-naphthyridin-4-ylamino)-2-oxopyrrolidin-1-yl]methyl]benzonitrile
CID 167795158
N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine
CID 67197279
6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71975576
1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64967691
N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine
CID 6962816
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777847

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
The IUPAC name of 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one (CID 167963830) is 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one is CCOc1cc2nccc(NC3CCCN(Cc4ccnc(C)n4)C3=O)c2cc1OCC.
What is the InChIKey of 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
The InChIKey is KTMLFECNAARERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-4-31-22-13-18-19(9-11-26-21(18)14-23(22)32-5-2)28-20-7-6-12-29(24(20)30)15-17-8-10-25-16(3)27-17/h8-11,13-14,20H,4-7,12,15H2,1-3H3,(H,26,28).
What are the key properties of 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one has a molecular weight of 435.53 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one is sourced from PubChem (CID 167963830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).