4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide

C19H20N4O2 — CID 135926229

IUPAC4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-2-23(11-13-7-9-14(10-8-13)18(20)24)12-17-21-16-6-4-3-5-15(16)19(25)22-17/h3-10H,2,11-12H2,1H3,(H2,20,24)(H,21,22,25)
InChIKeyZKQPHKCHSUKIKO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.04
Rot. Bonds6

About 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide

4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide (PubChem CID 135926229) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
PubChem CID135926229
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-2-23(11-13-7-9-14(10-8-13)18(20)24)12-17-21-16-6-4-3-5-15(16)19(25)22-17/h3-10H,2,11-12H2,1H3,(H2,20,24)(H,21,22,25)
InChIKeyZKQPHKCHSUKIKO-UHFFFAOYSA-N
XLogP2.04
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide with MolForge

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Related Compounds

2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135756515
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
2-[(2-amino-2-oxoethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetic acid
CID 136776108
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 135808200
N-benzyl-4-(methylsulfanylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135910063
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[(3-chloro-1-benzothiophen-2-yl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135777061
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide?
The IUPAC name of 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide (CID 135926229) is 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide is CCN(Cc1ccc(C(N)=O)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide?
The InChIKey is ZKQPHKCHSUKIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-23(11-13-7-9-14(10-8-13)18(20)24)12-17-21-16-6-4-3-5-15(16)19(25)22-17/h3-10H,2,11-12H2,1H3,(H2,20,24)(H,21,22,25).
What are the key properties of 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide?
4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 135926229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).