2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile

C20H18N4O — CID 17415962

IUPAC2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile
SMILESN#CCn1c(CN2CCCc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C20H18N4O/c21-11-13-24-19(22-17-9-3-2-8-16(17)20(24)25)14-23-12-5-7-15-6-1-4-10-18(15)23/h1-4,6,8-10H,5,7,12-14H2
InChIKeyGZBCOELOQKHMDE-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.87
Rot. Bonds3

About 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile

2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile (PubChem CID 17415962) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile
PubChem CID17415962
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile
SMILESN#CCn1c(CN2CCCc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C20H18N4O/c21-11-13-24-19(22-17-9-3-2-8-16(17)20(24)25)14-23-12-5-7-15-6-1-4-10-18(15)23/h1-4,6,8-10H,5,7,12-14H2
InChIKeyGZBCOELOQKHMDE-UHFFFAOYSA-N
XLogP2.87
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-methylpiperidin-1-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 17445386
2-[2-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 31502094
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate
CID 7727733
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-ethylquinazolin-4-one
CID 860000
2-[4-oxo-2-[[(6R)-2,2,6-trimethylmorpholin-4-yl]methyl]quinazolin-3-yl]acetonitrile
CID 95586162
2-[2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 40666097
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6-ethyl-3H-quinazolin-4-one
CID 156870380
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-methoxyacetate
CID 8018822
2-[2-(4-hydroxyphenyl)-4-oxoquinazolin-3-yl]acetonitrile
CID 137155254
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 5-methylpyrazine-2-carboxylate
CID 7950140
2-[2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetonitrile
CID 17449897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile (CID 17415962) is 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile is N#CCn1c(CN2CCCc3ccccc32)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile?
The InChIKey is GZBCOELOQKHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c21-11-13-24-19(22-17-9-3-2-8-16(17)20(24)25)14-23-12-5-7-15-6-1-4-10-18(15)23/h1-4,6,8-10H,5,7,12-14H2.
What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile?
2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile has a molecular weight of 330.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile is sourced from PubChem (CID 17415962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).