[(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone

C26H21ClN4O3 — CID 127024644

IUPAC[(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C26H21ClN4O3/c1-15-13-29-26(27)30-24(15)17-5-9-21-16(11-17)4-8-22(18-3-2-10-28-14-18)31(21)25(34)20-7-6-19(32)12-23(20)33/h2-3,5-7,9-14,22,32-33H,4,8H2,1H3/t22-/m1/s1
InChIKeyNULXZQHTQSFRHZ-JOCHJYFZSA-N
MW472.93 g/mol
LogP5.25
Rot. Bonds3

About [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone

[(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone (PubChem CID 127024644) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
PubChem CID127024644
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC Name[(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C26H21ClN4O3/c1-15-13-29-26(27)30-24(15)17-5-9-21-16(11-17)4-8-22(18-3-2-10-28-14-18)31(21)25(34)20-7-6-19(32)12-23(20)33/h2-3,5-7,9-14,22,32-33H,4,8H2,1H3/t22-/m1/s1
InChIKeyNULXZQHTQSFRHZ-JOCHJYFZSA-N
XLogP5.25
TPSA99.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.93
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ver-246608
CID 86280454
N-[4-(2-Chloro-5-Methylpyrimidin-4-Yl)phenyl]-2,4-Dihydroxy-N-(4-{[(Trifluoroacetyl)amino]methyl}benzyl)benzamide
CID 86280455
N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 117972658
[2,4-Bis(Oxidanyl)-5-Propan-2-Yl-Phenyl]-(2-Ethoxy-7,8-Dihydro-5~{h}-Pyrido[4,3-D]pyrimidin-6-Yl)methanone
CID 124220253
[2,4-Bis(Oxidanyl)phenyl]-[(2~{s})-2-Methyl-6-(3-Methylquinolin-2-Yl)-3,4-Dihydro-2~{h}-Quinolin-1-Yl]methanone
CID 124201644
[(2S)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 117970892
N-benzyl-N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxybenzamide
CID 117972524
2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-N-[(3-pyrimidin-5-ylphenyl)methyl]benzamide
CID 135991787
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419972
(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 141419973
(2,4-dihydroxy-5-propan-2-ylphenyl)-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 141419975
[2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 141419979

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone (CID 127024644) is [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone is Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O.
What is the InChIKey of [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The InChIKey is NULXZQHTQSFRHZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c1-15-13-29-26(27)30-24(15)17-5-9-21-16(11-17)4-8-22(18-3-2-10-28-14-18)31(21)25(34)20-7-6-19(32)12-23(20)33/h2-3,5-7,9-14,22,32-33H,4,8H2,1H3/t22-/m1/s1.
What are the key properties of [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone?
[(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone has a molecular weight of 472.93 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 127024644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).