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

C27H31N5O2 — CID 162119129

IUPACN-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)CCc4ccccn4)C3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H]
InChIInChI=1S/C27H27N5O2.2H2/c1-18-9-11-21-23(16-18)30-26(22-7-2-3-8-24(22)33)31-27(21)32-15-13-20(17-32)29-25(34)12-10-19-6-4-5-14-28-19;;/h2-9,11,14,16,20,33H,10,12-13,15,17H2,1H3,(H,29,34);2*1H/t20-;;/m1../s1
InChIKeyZHECTKHEZQQGMZ-FAVHNTAZSA-N
MW457.58 g/mol
LogP4.53
Rot. Bonds6

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

N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen (PubChem CID 162119129) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
PubChem CID162119129
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC NameN-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)CCc4ccccn4)C3)nc(-c3ccccc3O)nc2c1.[H][H].[H][H]
InChIInChI=1S/C27H27N5O2.2H2/c1-18-9-11-21-23(16-18)30-26(22-7-2-3-8-24(22)33)31-27(21)32-15-13-20(17-32)29-25(34)12-10-19-6-4-5-14-28-19;;/h2-9,11,14,16,20,33H,10,12-13,15,17H2,1H3,(H,29,34);2*1H/t20-;;/m1../s1
InChIKeyZHECTKHEZQQGMZ-FAVHNTAZSA-N
XLogP4.53
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 159426749
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen
CID 158731625
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
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
CID 143198505
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
1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 136613223
N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide
CID 143198401
N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide
CID 143198414
molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate
CID 160741748
2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 140544636

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen?
The IUPAC name of N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen (CID 162119129) is N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen?
The canonical SMILES for N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen is Cc1ccc2c(N3CC[C@@H](NC(=O)CCc4ccccn4)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]-3-pyridin-2-ylpropanamide;molecular hydrogen?
The InChIKey is ZHECTKHEZQQGMZ-FAVHNTAZSA-N. The full InChI is InChI=1S/C27H27N5O2.2H2/c1-18-9-11-21-23(16-18)30-26(22-7-2-3-8-24(22)33)31-27(21)32-15-13-20(17-32)29-25(34)12-10-19-6-4-5-14-28-19;;/h2-9,11,14,16,20,33H,10,12-13,15,17H2,1H3,(H,29,34);2*1H/t20-;;/m1../s1.
What are the key properties of N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen?
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen has a molecular weight of 457.58 g/mol, XLogP of 4.53, 6 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]-3-pyridin-2-ylpropanamide;molecular hydrogen is sourced from PubChem (CID 162119129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).