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

C21H20N4O2 — CID 42884115

IUPACN-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN2c2ncnc3ccccc23)cc1
InChIInChI=1S/C21H20N4O2/c1-14(26)15-8-10-16(11-9-15)24-21(27)19-7-4-12-25(19)20-17-5-2-3-6-18(17)22-13-23-20/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H,24,27)
InChIKeyVVWOARRMSHNNCE-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.44
Rot. Bonds4

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

N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide (PubChem CID 42884115) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
PubChem CID42884115
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN2c2ncnc3ccccc23)cc1
InChIInChI=1S/C21H20N4O2/c1-14(26)15-8-10-16(11-9-15)24-21(27)19-7-4-12-25(19)20-17-5-2-3-6-18(17)22-13-23-20/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H,24,27)
InChIKeyVVWOARRMSHNNCE-UHFFFAOYSA-N
XLogP3.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
CID 97427914
N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 110436322
N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42930849
(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone
CID 110437049
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 167772955
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
CID 20982587
(2S)-N-(4-cyanophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95305384
methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754583
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 71844898
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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide (CID 42884115) is N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide is CC(=O)c1ccc(NC(=O)C2CCCN2c2ncnc3ccccc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is VVWOARRMSHNNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14(26)15-8-10-16(11-9-15)24-21(27)19-7-4-12-25(19)20-17-5-2-3-6-18(17)22-13-23-20/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42884115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).