1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol

C21H22N4O3 — CID 91284249

IUPAC1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol
SMILESCOc1cc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc(OC)c1
InChIInChI=1S/C21H22N4O3/c1-27-17-11-15(12-18(13-17)28-2)23-21-22-8-7-20(24-21)25-9-3-4-14-10-16(26)5-6-19(14)25/h5-8,10-13,26H,3-4,9H2,1-2H3,(H,22,23,24)
InChIKeyWSPCXRMKAATSHD-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.03
Rot. Bonds5

About 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol

1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol (PubChem CID 91284249) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol
PubChem CID91284249
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol
SMILESCOc1cc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc(OC)c1
InChIInChI=1S/C21H22N4O3/c1-27-17-11-15(12-18(13-17)28-2)23-21-22-8-7-20(24-21)25-9-3-4-14-10-16(26)5-6-19(14)25/h5-8,10-13,26H,3-4,9H2,1-2H3,(H,22,23,24)
InChIKeyWSPCXRMKAATSHD-UHFFFAOYSA-N
XLogP4.03
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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]benzenesulfonamide
CID 90438115
4-[[4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
CID 58432909
4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide
CID 58432929
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80753865
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902343
N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide
CID 58432913
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol
CID 56969109
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927864
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300
(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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol?
The IUPAC name of 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol (CID 91284249) is 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol.
What is the SMILES notation for 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol?
The canonical SMILES for 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol is COc1cc(Nc2nccc(N3CCCc4cc(O)ccc43)n2)cc(OC)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol?
The InChIKey is WSPCXRMKAATSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-17-11-15(12-18(13-17)28-2)23-21-22-8-7-20(24-21)25-9-3-4-14-10-16(26)5-6-19(14)25/h5-8,10-13,26H,3-4,9H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol?
1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol has a molecular weight of 378.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol is sourced from PubChem (CID 91284249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).