2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile

C21H24N4 — CID 133461468

IUPAC2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
SMILESCc1nc2c(c(N3CCCC3C(C#N)c3ccccc3)n1)CCCC2
InChIInChI=1S/C21H24N4/c1-15-23-19-11-6-5-10-17(19)21(24-15)25-13-7-12-20(25)18(14-22)16-8-3-2-4-9-16/h2-4,8-9,18,20H,5-7,10-13H2,1H3
InChIKeyMYVOMZMWBSBTMQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.94
Rot. Bonds3

About 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile

2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile (PubChem CID 133461468) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
PubChem CID133461468
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
SMILESCc1nc2c(c(N3CCCC3C(C#N)c3ccccc3)n1)CCCC2
InChIInChI=1S/C21H24N4/c1-15-23-19-11-6-5-10-17(19)21(24-15)25-13-7-12-20(25)18(14-22)16-8-3-2-4-9-16/h2-4,8-9,18,20H,5-7,10-13H2,1H3
InChIKeyMYVOMZMWBSBTMQ-UHFFFAOYSA-N
XLogP3.94
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile
CID 133333339
2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133333373
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133428267
4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133472301
4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133461624
1-benzyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazine-2-carbonitrile
CID 133460814
6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 167971325
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine
CID 95789765
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
2-methyl-4-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461258
2-[1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133333329

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile (CID 133461468) is 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile is Cc1nc2c(c(N3CCCC3C(C#N)c3ccccc3)n1)CCCC2.
What is the InChIKey of 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile?
The InChIKey is MYVOMZMWBSBTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-23-19-11-6-5-10-17(19)21(24-15)25-13-7-12-20(25)18(14-22)16-8-3-2-4-9-16/h2-4,8-9,18,20H,5-7,10-13H2,1H3.
What are the key properties of 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile?
2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile has a molecular weight of 332.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile is sourced from PubChem (CID 133461468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).