N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen

C25H27N5O2 — CID 158731625

IUPACN-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)c4ccccn4)C3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H]
InChIInChI=1S/C25H23N5O2.2H2/c1-16-9-10-18-21(14-16)28-23(19-6-2-3-8-22(19)31)29-24(18)30-13-11-17(15-30)27-25(32)20-7-4-5-12-26-20;;/h2-10,12,14,17,31H,11,13,15H2,1H3,(H,27,32);2*1H/t17-;;/m1../s1
InChIKeyILDYFFFJRIGWNW-ZEECNFPPSA-N
MW429.52 g/mol
LogP4.21
Rot. Bonds4

About N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen

N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen (PubChem CID 158731625) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen
PubChem CID158731625
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)c4ccccn4)C3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H]
InChIInChI=1S/C25H23N5O2.2H2/c1-16-9-10-18-21(14-16)28-23(19-6-2-3-8-22(19)31)29-24(18)30-13-11-17(15-30)27-25(32)20-7-4-5-12-26-20;;/h2-10,12,14,17,31H,11,13,15H2,1H3,(H,27,32);2*1H/t17-;;/m1../s1
InChIKeyILDYFFFJRIGWNW-ZEECNFPPSA-N
XLogP4.21
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 162119129
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3,3-dimethylbutanamide;molecular hydrogen
CID 160958505
ethyl N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 135410876
2-methoxyethyl N-[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 135771832
N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 159426749
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
CID 143198505
molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate
CID 160741748
2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide
CID 161090945
N-[(3R)-1-[2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide;molecular hydrogen
CID 161087632
2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 140544636
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
molecular hydrogen;propan-2-yl N-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 158588972

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen (CID 158731625) is N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen is Cc1ccc2c(N3CC[C@@H](NC(=O)c4ccccn4)C3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H].
What is the InChIKey of N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen?
The InChIKey is ILDYFFFJRIGWNW-ZEECNFPPSA-N. The full InChI is InChI=1S/C25H23N5O2.2H2/c1-16-9-10-18-21(14-16)28-23(19-6-2-3-8-22(19)31)29-24(18)30-13-11-17(15-30)27-25(32)20-7-4-5-12-26-20;;/h2-10,12,14,17,31H,11,13,15H2,1H3,(H,27,32);2*1H/t17-;;/m1../s1.
What are the key properties of N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen?
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen has a molecular weight of 429.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158731625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).