(2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C27H21N5O3 — CID 127024421

IUPAC(2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1c2ccc(-c3ncnc4[nH]ccc34)cc2CCC1c1cccnc1
InChIInChI=1S/C27H21N5O3/c33-19-5-6-20(24(34)13-19)27(35)32-22-8-4-17(25-21-9-11-29-26(21)31-15-30-25)12-16(22)3-7-23(32)18-2-1-10-28-14-18/h1-2,4-6,8-15,23,33-34H,3,7H2,(H,29,30,31)
InChIKeyDKUKWIVFZJMJFK-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.77
Rot. Bonds3

About (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 127024421) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID127024421
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Name(2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1c2ccc(-c3ncnc4[nH]ccc34)cc2CCC1c1cccnc1
InChIInChI=1S/C27H21N5O3/c33-19-5-6-20(24(34)13-19)27(35)32-22-8-4-17(25-21-9-11-29-26(21)31-15-30-25)12-16(22)3-7-23(32)18-2-1-10-28-14-18/h1-2,4-6,8-15,23,33-34H,3,7H2,(H,29,30,31)
InChIKeyDKUKWIVFZJMJFK-UHFFFAOYSA-N
XLogP4.77
TPSA115.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 127024421) is (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(c1ccc(O)cc1O)N1c2ccc(-c3ncnc4[nH]ccc34)cc2CCC1c1cccnc1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is DKUKWIVFZJMJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c33-19-5-6-20(24(34)13-19)27(35)32-22-8-4-17(25-21-9-11-29-26(21)31-15-30-25)12-16(22)3-7-23(32)18-2-1-10-28-14-18/h1-2,4-6,8-15,23,33-34H,3,7H2,(H,29,30,31).
What are the key properties of (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 463.50 g/mol, XLogP of 4.77, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[2-pyridin-3-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 127024421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).