4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide

C25H29N5O2 — CID 58432929

IUPAC4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1
InChIInChI=1S/C25H29N5O2/c1-17(2)11-13-26-24(32)18-5-7-20(8-6-18)28-25-27-14-12-23(29-25)30-15-3-4-19-16-21(31)9-10-22(19)30/h5-10,12,14,16-17,31H,3-4,11,13,15H2,1-2H3,(H,26,32)(H,27,28,29)
InChIKeyWIMSAGJWTQELRU-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.79
Rot. Bonds7

About 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide

4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide (PubChem CID 58432929) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide
PubChem CID58432929
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1
InChIInChI=1S/C25H29N5O2/c1-17(2)11-13-26-24(32)18-5-7-20(8-6-18)28-25-27-14-12-23(29-25)30-15-3-4-19-16-21(31)9-10-22(19)30/h5-10,12,14,16-17,31H,3-4,11,13,15H2,1-2H3,(H,26,32)(H,27,28,29)
InChIKeyWIMSAGJWTQELRU-UHFFFAOYSA-N
XLogP4.79
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide
CID 58432913
1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol
CID 91284249
N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 158621033
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[4-(3-methylbutylamino)sulfanylphenyl]pyrimidin-2-amine
CID 137446248
4-[[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 90438115
1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol
CID 56968674
4-[[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
CID 58432909
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide
CID 109048626
(3E,5E)-6-[[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)hepta-1,3,5-triene-3-sulfonamide
CID 134488591
N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902218
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80753865
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide (CID 58432929) is 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc1.
What is the InChIKey of 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide?
The InChIKey is WIMSAGJWTQELRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17(2)11-13-26-24(32)18-5-7-20(8-6-18)28-25-27-14-12-23(29-25)30-15-3-4-19-16-21(31)9-10-22(19)30/h5-10,12,14,16-17,31H,3-4,11,13,15H2,1-2H3,(H,26,32)(H,27,28,29).
What are the key properties of 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide?
4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 58432929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).