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

C21H22N4O2 — CID 135566798

IUPAC2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one
SMILESCN(CC(=O)N1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H22N4O2/c1-24(13-19-22-17-10-4-3-9-16(17)21(27)23-19)14-20(26)25-12-6-8-15-7-2-5-11-18(15)25/h2-5,7,9-11H,6,8,12-14H2,1H3,(H,22,23,27)
InChIKeyMTDOUFMMCOQZJF-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.33
Rot. Bonds4

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

2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one (PubChem CID 135566798) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one
PubChem CID135566798
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one
SMILESCN(CC(=O)N1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H22N4O2/c1-24(13-19-22-17-10-4-3-9-16(17)21(27)23-19)14-20(26)25-12-6-8-15-7-2-5-11-18(15)25/h2-5,7,9-11H,6,8,12-14H2,1H3,(H,22,23,27)
InChIKeyMTDOUFMMCOQZJF-UHFFFAOYSA-N
XLogP2.33
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one (CID 135566798) is 2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one is CN(CC(=O)N1CCCc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is MTDOUFMMCOQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(13-19-22-17-10-4-3-9-16(17)21(27)23-19)14-20(26)25-12-6-8-15-7-2-5-11-18(15)25/h2-5,7,9-11H,6,8,12-14H2,1H3,(H,22,23,27).
What are the key properties of 2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one?
2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 362.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135566798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).