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

C27H27N3O4 — CID 43988524

IUPAC4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2OC)cc1
InChIInChI=1S/C27H27N3O4/c1-4-5-16-34-21-13-10-19(11-14-21)26(31)29-24-15-12-20(17-25(24)33-3)30-18(2)28-23-9-7-6-8-22(23)27(30)32/h6-15,17H,4-5,16H2,1-3H3,(H,29,31)
InChIKeyFBVMHOGPNMTIEV-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.13
Rot. Bonds8

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

4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 43988524) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID43988524
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2OC)cc1
InChIInChI=1S/C27H27N3O4/c1-4-5-16-34-21-13-10-19(11-14-21)26(31)29-24-15-12-20(17-25(24)33-3)30-18(2)28-23-9-7-6-8-22(23)27(30)32/h6-15,17H,4-5,16H2,1-3H3,(H,29,31)
InChIKeyFBVMHOGPNMTIEV-UHFFFAOYSA-N
XLogP5.13
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077206
3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988488
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxyacetamide
CID 43988539
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3,5-dinitrobenzamide
CID 43988567
N-(5-cyano-2-methoxyphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 49182677
3-[4-[3-(hexylamino)propoxy]phenyl]-2-methylquinazolin-4-one
CID 141120873
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55661317
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-methyl-3-nitrobenzamide
CID 43988521
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41077348

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 43988524) is 4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2OC)cc1.
What is the InChIKey of 4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is FBVMHOGPNMTIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-4-5-16-34-21-13-10-19(11-14-21)26(31)29-24-15-12-20(17-25(24)33-3)30-18(2)28-23-9-7-6-8-22(23)27(30)32/h6-15,17H,4-5,16H2,1-3H3,(H,29,31).
What are the key properties of 4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 457.53 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 43988524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).