2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile

C20H18N4 — CID 133333339

IUPAC2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile
SMILESN#CC(c1ccccc1)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C20H18N4/c21-13-17(15-7-2-1-3-8-15)19-11-6-12-24(19)20-16-9-4-5-10-18(16)22-14-23-20/h1-5,7-10,14,17,19H,6,11-12H2
InChIKeyNRWNGMQXUVLHSF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.91
Rot. Bonds3

About 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile

2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile (PubChem CID 133333339) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile
PubChem CID133333339
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile
SMILESN#CC(c1ccccc1)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C20H18N4/c21-13-17(15-7-2-1-3-8-15)19-11-6-12-24(19)20-16-9-4-5-10-18(16)22-14-23-20/h1-5,7-10,14,17,19H,6,11-12H2
InChIKeyNRWNGMQXUVLHSF-UHFFFAOYSA-N
XLogP3.91
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133461468
N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 110436322
2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133333373
6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 167971325
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133428267
N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62591283
4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
CID 95338499
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
5-methyl-3-[(2R)-1-quinazolin-4-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998438

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile?
The IUPAC name of 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile (CID 133333339) is 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile.
What is the SMILES notation for 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile?
The canonical SMILES for 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile is N#CC(c1ccccc1)C1CCCN1c1ncnc2ccccc12.
What is the InChIKey of 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile?
The InChIKey is NRWNGMQXUVLHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c21-13-17(15-7-2-1-3-8-15)19-11-6-12-24(19)20-16-9-4-5-10-18(16)22-14-23-20/h1-5,7-10,14,17,19H,6,11-12H2.
What are the key properties of 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile?
2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile has a molecular weight of 314.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile is sourced from PubChem (CID 133333339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).