N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide

C26H24N4O4 — CID 135687208

IUPACN-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H24N4O4/c1-2-30(17-23-28-22-11-7-6-10-21(22)26(33)29-23)24(31)16-27-25(32)18-12-14-20(15-13-18)34-19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyWBQLKFTUDHDKOO-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.49
Rot. Bonds8

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

N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 135687208) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide
PubChem CID135687208
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H24N4O4/c1-2-30(17-23-28-22-11-7-6-10-21(22)26(33)29-23)24(31)16-27-25(32)18-12-14-20(15-13-18)34-19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyWBQLKFTUDHDKOO-UHFFFAOYSA-N
XLogP3.49
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135953923
4-methyl-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135903821
(2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 137050015
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
N-ethyl-3-(3-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821067
3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948205
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821082
3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135783247
1-ethyl-3-(2-methyl-2-phenylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948180

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide (CID 135687208) is N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is WBQLKFTUDHDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-2-30(17-23-28-22-11-7-6-10-21(22)26(33)29-23)24(31)16-27-25(32)18-12-14-20(15-13-18)34-19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,27,32)(H,28,29,33).
What are the key properties of N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide?
N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 456.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 135687208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).