N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide

C21H22N4O — CID 110436322

IUPACN-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1c1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-15(16-8-3-2-4-9-16)24-21(26)19-12-7-13-25(19)20-17-10-5-6-11-18(17)22-14-23-20/h2-6,8-11,14-15,19H,7,12-13H2,1H3,(H,24,26)
InChIKeyYBFVYPKCYGEJCV-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.48
Rot. Bonds4

About N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide

N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide (PubChem CID 110436322) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
PubChem CID110436322
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1c1ncnc2ccccc12)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-15(16-8-3-2-4-9-16)24-21(26)19-12-7-13-25(19)20-17-10-5-6-11-18(17)22-14-23-20/h2-6,8-11,14-15,19H,7,12-13H2,1H3,(H,24,26)
InChIKeyYBFVYPKCYGEJCV-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42884115
(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone
CID 110437049
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42930849
N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 167772955
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126004394
3-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 119220790
2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile
CID 133333339
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 71911502
N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 167804968
N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842432

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide (CID 110436322) is N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1c1ncnc2ccccc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is YBFVYPKCYGEJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(16-8-3-2-4-9-16)24-21(26)19-12-7-13-25(19)20-17-10-5-6-11-18(17)22-14-23-20/h2-6,8-11,14-15,19H,7,12-13H2,1H3,(H,24,26).
What are the key properties of N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110436322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).