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

C19H17ClN4O — CID 56969109

IUPAC1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol
SMILESOc1cccc2c1CCCN2c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClN4O/c20-13-4-1-5-14(12-13)22-19-21-10-9-18(23-19)24-11-3-6-15-16(24)7-2-8-17(15)25/h1-2,4-5,7-10,12,25H,3,6,11H2,(H,21,22,23)
InChIKeyANFNRTDGVXSZPC-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.66
Rot. Bonds3

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

1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol (PubChem CID 56969109) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol.

Molecular Properties

Compound Name1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol
PubChem CID56969109
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol
SMILESOc1cccc2c1CCCN2c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C19H17ClN4O/c20-13-4-1-5-14(12-13)22-19-21-10-9-18(23-19)24-11-3-6-15-16(24)7-2-8-17(15)25/h1-2,4-5,7-10,12,25H,3,6,11H2,(H,21,22,23)
InChIKeyANFNRTDGVXSZPC-UHFFFAOYSA-N
XLogP4.66
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[[4-(5-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]phenyl]sulfonylamino]acetic acid
CID 68973928
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902343
[2-(3-chloroanilino)pyrimidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109314479
1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-6-ol
CID 91284249
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192
2-(3-chloroanilino)pyrimidine-4-carbothioamide
CID 107546376
1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol
CID 56968674
4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990162
[2-(3-chloroanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310598
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol?
The IUPAC name of 1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol (CID 56969109) is 1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol.
What is the SMILES notation for 1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol?
The canonical SMILES for 1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol is Oc1cccc2c1CCCN2c1ccnc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol?
The InChIKey is ANFNRTDGVXSZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-13-4-1-5-14(12-13)22-19-21-10-9-18(23-19)24-11-3-6-15-16(24)7-2-8-17(15)25/h1-2,4-5,7-10,12,25H,3,6,11H2,(H,21,22,23).
What are the key properties of 1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol?
1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol has a molecular weight of 352.83 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloroanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-5-ol is sourced from PubChem (CID 56969109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).