1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea

C15H20N4O2 — CID 135680669

IUPAC1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC(C)C
InChIInChI=1S/C15H20N4O2/c1-4-19(15(21)16-10(2)3)9-13-17-12-8-6-5-7-11(12)14(20)18-13/h5-8,10H,4,9H2,1-3H3,(H,16,21)(H,17,18,20)
InChIKeyBYJCAIXZMKCRHF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.86
Rot. Bonds4

About 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea

1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea (PubChem CID 135680669) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
PubChem CID135680669
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC(C)C
InChIInChI=1S/C15H20N4O2/c1-4-19(15(21)16-10(2)3)9-13-17-12-8-6-5-7-11(12)14(20)18-13/h5-8,10H,4,9H2,1-3H3,(H,16,21)(H,17,18,20)
InChIKeyBYJCAIXZMKCRHF-UHFFFAOYSA-N
XLogP1.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 137017001
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 136929486
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-propan-2-ylphenyl)urea
CID 136929510
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948205
1-ethyl-3-(2-methyl-2-phenylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948180
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135821026
2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137315315
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776
N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 135687208

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea (CID 135680669) is 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC(C)C.
What is the InChIKey of 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea?
The InChIKey is BYJCAIXZMKCRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-19(15(21)16-10(2)3)9-13-17-12-8-6-5-7-11(12)14(20)18-13/h5-8,10H,4,9H2,1-3H3,(H,16,21)(H,17,18,20).
What are the key properties of 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea?
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea has a molecular weight of 288.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 135680669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).