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

C15H19N3O3 — CID 135991285

IUPAC2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-4-18(15(2,3)14(20)21)9-12-16-11-8-6-5-7-10(11)13(19)17-12/h5-8H,4,9H2,1-3H3,(H,20,21)(H,16,17,19)
InChIKeyANRIFYZIVZZCBT-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.61
Rot. Bonds5

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

2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 135991285) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID135991285
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-4-18(15(2,3)14(20)21)9-12-16-11-8-6-5-7-10(11)13(19)17-12/h5-8H,4,9H2,1-3H3,(H,20,21)(H,16,17,19)
InChIKeyANRIFYZIVZZCBT-UHFFFAOYSA-N
XLogP1.61
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
2-(3,3-dimethyl-2-oxobutyl)-3H-quinazolin-4-one
CID 139894083
1-ethyl-3-(2-methyl-2-phenylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948180
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137315328
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 137036977
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid (CID 135991285) is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is ANRIFYZIVZZCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18(15(2,3)14(20)21)9-12-16-11-8-6-5-7-10(11)13(19)17-12/h5-8H,4,9H2,1-3H3,(H,20,21)(H,16,17,19).
What are the key properties of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 135991285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).