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

C25H23N5O2 — CID 140544636

IUPAC2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccc2c(N3CC[C@@H](c4ncccc4C(N)=O)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H23N5O2/c1-15-8-9-17-20(13-15)28-24(18-5-2-3-7-21(18)31)29-25(17)30-12-10-16(14-30)22-19(23(26)32)6-4-11-27-22/h2-9,11,13,16,31H,10,12,14H2,1H3,(H2,26,32)/t16-/m1/s1
InChIKeyXUYLJOYXGLHPOO-MRXNPFEDSA-N
MW425.49 g/mol
LogP3.80
Rot. Bonds4

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

2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 140544636) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID140544636
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccc2c(N3CC[C@@H](c4ncccc4C(N)=O)C3)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C25H23N5O2/c1-15-8-9-17-20(13-15)28-24(18-5-2-3-7-21(18)31)29-25(17)30-12-10-16(14-30)22-19(23(26)32)6-4-11-27-22/h2-9,11,13,16,31H,10,12,14H2,1H3,(H2,26,32)/t16-/m1/s1
InChIKeyXUYLJOYXGLHPOO-MRXNPFEDSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 140544636) is 2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide is Cc1ccc2c(N3CC[C@@H](c4ncccc4C(N)=O)C3)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is XUYLJOYXGLHPOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-15-8-9-17-20(13-15)28-24(18-5-2-3-7-21(18)31)29-25(17)30-12-10-16(14-30)22-19(23(26)32)6-4-11-27-22/h2-9,11,13,16,31H,10,12,14H2,1H3,(H2,26,32)/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide?
2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-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 2-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 140544636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).