2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one

C19H19N3O — CID 135570401

IUPAC2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCC1CCc2ccccc2N1Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19N3O/c1-13-10-11-14-6-2-5-9-17(14)22(13)12-18-20-16-8-4-3-7-15(16)19(23)21-18/h2-9,13H,10-12H2,1H3,(H,20,21,23)
InChIKeyYFVQWAXMLCDVAJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.26
Rot. Bonds2

About 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one

2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one (PubChem CID 135570401) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one
PubChem CID135570401
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCC1CCc2ccccc2N1Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19N3O/c1-13-10-11-14-6-2-5-9-17(14)22(13)12-18-20-16-8-4-3-7-15(16)19(23)21-18/h2-9,13H,10-12H2,1H3,(H,20,21,23)
InChIKeyYFVQWAXMLCDVAJ-UHFFFAOYSA-N
XLogP3.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135914752
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 135659956
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one
CID 135830517
6-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-3-ol
CID 82974447
2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136968778
2-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-3H-quinazolin-4-one
CID 135718756
3-butyl-7-methyl-8-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]purine-2,6-dione
CID 47010944
N-methyl-5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-2-amine
CID 62182343
3-butyl-7-ethyl-8-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]purine-2,6-dione
CID 55410547

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one (CID 135570401) is 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one is CC1CCc2ccccc2N1Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one?
The InChIKey is YFVQWAXMLCDVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-10-11-14-6-2-5-9-17(14)22(13)12-18-20-16-8-4-3-7-15(16)19(23)21-18/h2-9,13H,10-12H2,1H3,(H,20,21,23).
What are the key properties of 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one?
2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one has a molecular weight of 305.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135570401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).