1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol

C22H24N4O4 — CID 56968674

IUPAC1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol
SMILESCOc1cc(Nc2nccc(N3CCCc4ccc(O)cc43)n2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O4/c1-28-18-11-15(12-19(29-2)21(18)30-3)24-22-23-9-8-20(25-22)26-10-4-5-14-6-7-16(27)13-17(14)26/h6-9,11-13,27H,4-5,10H2,1-3H3,(H,23,24,25)
InChIKeyBZBOPWQHENSJJC-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.04
Rot. Bonds6

About 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol

1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol (PubChem CID 56968674) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol.

Molecular Properties

Compound Name1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol
PubChem CID56968674
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol
SMILESCOc1cc(Nc2nccc(N3CCCc4ccc(O)cc43)n2)cc(OC)c1OC
InChIInChI=1S/C22H24N4O4/c1-28-18-11-15(12-19(29-2)21(18)30-3)24-22-23-9-8-20(25-22)26-10-4-5-14-6-7-16(27)13-17(14)26/h6-9,11-13,27H,4-5,10H2,1-3H3,(H,23,24,25)
InChIKeyBZBOPWQHENSJJC-UHFFFAOYSA-N
XLogP4.04
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol
CID 91284249
1-[4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888949
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902343
4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
CID 135815278
2-(3,4,5-trimethoxyanilino)-5,6-dihydrobenzo[h]quinazolin-9-ol
CID 57033343
4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]-N-(3-methylbutyl)benzamide
CID 58432929
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
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
3,4-dihydro-2H-quinolin-1-yl-[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109314648
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol?
The IUPAC name of 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol (CID 56968674) is 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol.
What is the SMILES notation for 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol?
The canonical SMILES for 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol is COc1cc(Nc2nccc(N3CCCc4ccc(O)cc43)n2)cc(OC)c1OC.
What is the InChIKey of 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol?
The InChIKey is BZBOPWQHENSJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-28-18-11-15(12-19(29-2)21(18)30-3)24-22-23-9-8-20(25-22)26-10-4-5-14-6-7-16(27)13-17(14)26/h6-9,11-13,27H,4-5,10H2,1-3H3,(H,23,24,25).
What are the key properties of 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol?
1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol has a molecular weight of 408.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol is sourced from PubChem (CID 56968674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).