1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C23H22FN7O — CID 45198629

IUPAC1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(=O)NCc2ccc(-n3cncn3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C23H22FN7O/c1-15-19-11-17(24)6-9-20(19)29-23(28-15)30-10-2-3-21(30)22(32)26-12-16-4-7-18(8-5-16)31-14-25-13-27-31/h4-9,11,13-14,21H,2-3,10,12H2,1H3,(H,26,32)
InChIKeyVHTHCXLWJPIUSL-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.94
Rot. Bonds5

About 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide

1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 45198629) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID45198629
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(=O)NCc2ccc(-n3cncn3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C23H22FN7O/c1-15-19-11-17(24)6-9-20(19)29-23(28-15)30-10-2-3-21(30)22(32)26-12-16-4-7-18(8-5-16)31-14-25-13-27-31/h4-9,11,13-14,21H,2-3,10,12H2,1H3,(H,26,32)
InChIKeyVHTHCXLWJPIUSL-UHFFFAOYSA-N
XLogP2.94
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone
CID 45210473
4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45171634
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 45177780
[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone
CID 42483271
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 118754407
3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide
CID 110901464
3,3-difluoro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 136539200
N-[(4-fluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600328
2-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpyrrolidine-1,2-dicarboxamide
CID 159386470
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 97427865
N-[(3,4-difluorophenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
CID 118758469
1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133368551

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 45198629) is 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide is Cc1nc(N2CCCC2C(=O)NCc2ccc(-n3cncn3)cc2)nc2ccc(F)cc12.
What is the InChIKey of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VHTHCXLWJPIUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-15-19-11-17(24)6-9-20(19)29-23(28-15)30-10-2-3-21(30)22(32)26-12-16-4-7-18(8-5-16)31-14-25-13-27-31/h4-9,11,13-14,21H,2-3,10,12H2,1H3,(H,26,32).
What are the key properties of 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45198629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).