4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide

C19H18N4O4 — CID 135658727

IUPAC4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
SMILESO=C(COc1ccccc1)NCCNC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18N4O4/c24-16(12-27-13-6-2-1-3-7-13)20-10-11-21-19(26)17-22-15-9-5-4-8-14(15)18(25)23-17/h1-9H,10-12H2,(H,20,24)(H,21,26)(H,22,23,25)
InChIKeyIOLZDQPADKJMPK-UHFFFAOYSA-N
MW366.38 g/mol
LogP0.85
Rot. Bonds7

About 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide

4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide (PubChem CID 135658727) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
PubChem CID135658727
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
SMILESO=C(COc1ccccc1)NCCNC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18N4O4/c24-16(12-27-13-6-2-1-3-7-13)20-10-11-21-19(26)17-22-15-9-5-4-8-14(15)18(25)23-17/h1-9H,10-12H2,(H,20,24)(H,21,26)(H,22,23,25)
InChIKeyIOLZDQPADKJMPK-UHFFFAOYSA-N
XLogP0.85
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136767922
4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629201
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
N-[3-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213
N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629285
4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
N-[3-[(4-methoxybenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629300
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 110712288

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide (CID 135658727) is 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide is O=C(COc1ccccc1)NCCNC(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide?
The InChIKey is IOLZDQPADKJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-16(12-27-13-6-2-1-3-7-13)20-10-11-21-19(26)17-22-15-9-5-4-8-14(15)18(25)23-17/h1-9H,10-12H2,(H,20,24)(H,21,26)(H,22,23,25).
What are the key properties of 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide?
4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135658727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).