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

C25H23N5O2 — CID 140544626

IUPAC3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1ccc2c(N3CC[C@H](c4cnccc4C(N)=O)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H23N5O2/c1-15-6-7-18-21(12-15)28-24(19-4-2-3-5-22(19)31)29-25(18)30-11-9-16(14-30)20-13-27-10-8-17(20)23(26)32/h2-8,10,12-13,16,31H,9,11,14H2,1H3,(H2,26,32)/t16-/m0/s1
InChIKeyWFGVILLJMCUABT-INIZCTEOSA-N
MW425.49 g/mol
LogP3.80
Rot. Bonds4

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

3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 140544626) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID140544626
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1ccc2c(N3CC[C@H](c4cnccc4C(N)=O)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H23N5O2/c1-15-6-7-18-21(12-15)28-24(19-4-2-3-5-22(19)31)29-25(18)30-11-9-16(14-30)20-13-27-10-8-17(20)23(26)32/h2-8,10,12-13,16,31H,9,11,14H2,1H3,(H2,26,32)/t16-/m0/s1
InChIKeyWFGVILLJMCUABT-INIZCTEOSA-N
XLogP3.80
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 140544636
3-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 140544625
ethyl N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 135410876
1-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 140544630
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-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3,3-dimethylbutanamide;molecular hydrogen
CID 160958505
2-hydroxy-N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-4,4-dimethylpentanamide
CID 143198505
2-(4-chloro-7-methylquinazolin-2-yl)phenol;1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]azetidine-3-carboxylic acid
CID 159471122
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
molecular hydrogen;propyl N-[[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 160934075

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide (CID 140544626) is 3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide is Cc1ccc2c(N3CC[C@H](c4cnccc4C(N)=O)C3)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of 3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is WFGVILLJMCUABT-INIZCTEOSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-15-6-7-18-21(12-15)28-24(19-4-2-3-5-22(19)31)29-25(18)30-11-9-16(14-30)20-13-27-10-8-17(20)23(26)32/h2-8,10,12-13,16,31H,9,11,14H2,1H3,(H2,26,32)/t16-/m0/s1.
What are the key properties of 3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide?
3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 140544626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).