2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide

C26H32N4O3 — CID 143198505

IUPAC2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
SMILESCc1ccc2c(N3CCC(NC(=O)C(O)CC(C)(C)C)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C26H32N4O3/c1-16-9-10-18-20(13-16)28-23(19-7-5-6-8-21(19)31)29-24(18)30-12-11-17(15-30)27-25(33)22(32)14-26(2,3)4/h5-10,13,17,22,31-32H,11-12,14-15H2,1-4H3,(H,27,33)
InChIKeyVGYIBOCTXQKSLY-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.80
Rot. Bonds5

About 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide

2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide (PubChem CID 143198505) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
PubChem CID143198505
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
SMILESCc1ccc2c(N3CCC(NC(=O)C(O)CC(C)(C)C)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C26H32N4O3/c1-16-9-10-18-20(13-16)28-23(19-7-5-6-8-21(19)31)29-24(18)30-12-11-17(15-30)27-25(33)22(32)14-26(2,3)4/h5-10,13,17,22,31-32H,11-12,14-15H2,1-4H3,(H,27,33)
InChIKeyVGYIBOCTXQKSLY-UHFFFAOYSA-N
XLogP3.80
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;molecular hydrogen
CID 158731625
2-hydroxy-N-[1-[7-methyl-2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]hexanamide
CID 159216770
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 162119129
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
2-[4-[(3R)-3-aminopyrrolidin-1-yl]-7-methylquinazolin-2-yl]phenol;oxan-2-ylmethyl N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 159340061
2-hydroxy-N-[1-(7-methyl-2-phenylquinazolin-4-yl)piperidin-4-yl]pentanamide
CID 70835315
2-methylpropyl N-[(3R)-1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate;molecular hydrogen
CID 159801682
butane;2-hydroxy-1-[4-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperazin-1-yl]butan-1-one
CID 143245075
N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 159426749

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide?
The IUPAC name of 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide (CID 143198505) is 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide is Cc1ccc2c(N3CCC(NC(=O)C(O)CC(C)(C)C)C3)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide?
The InChIKey is VGYIBOCTXQKSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16-9-10-18-20(13-16)28-23(19-7-5-6-8-21(19)31)29-24(18)30-12-11-17(15-30)27-25(33)22(32)14-26(2,3)4/h5-10,13,17,22,31-32H,11-12,14-15H2,1-4H3,(H,27,33).
What are the key properties of 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide?
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide has a molecular weight of 448.57 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide is sourced from PubChem (CID 143198505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).