4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

C26H24ClN3O3 — CID 41077206

IUPAC4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c1-3-4-15-33-20-12-9-18(10-13-20)25(31)29-24-16-19(11-14-22(24)27)30-17(2)28-23-8-6-5-7-21(23)26(30)32/h5-14,16H,3-4,15H2,1-2H3,(H,29,31)
InChIKeyONJDMRZFJLWSBM-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.78
Rot. Bonds7

About 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 41077206) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID41077206
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c1-3-4-15-33-20-12-9-18(10-13-20)25(31)29-24-16-19(11-14-22(24)27)30-17(2)28-23-8-6-5-7-21(23)26(30)32/h5-14,16H,3-4,15H2,1-2H3,(H,29,31)
InChIKeyONJDMRZFJLWSBM-UHFFFAOYSA-N
XLogP5.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.78
H-Bond Donors ≤ 51
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-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988524
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41077348
2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192
2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077256
2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077195
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 41077190
3-[4-[3-(hexylamino)propoxy]phenyl]-2-methylquinazolin-4-one
CID 141120873
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 16830447
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
CID 7593023
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-8-ethoxy-2-oxochromene-3-carboxamide
CID 41077262

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 41077206) is 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)cc1.
What is the InChIKey of 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is ONJDMRZFJLWSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-3-4-15-33-20-12-9-18(10-13-20)25(31)29-24-16-19(11-14-22(24)27)30-17(2)28-23-8-6-5-7-21(23)26(30)32/h5-14,16H,3-4,15H2,1-2H3,(H,29,31).
What are the key properties of 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 461.95 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41077206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).