N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide

C25H28N4O3 — CID 60549248

IUPACN-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)cnc12
InChIInChI=1S/C25H28N4O3/c1-17-7-6-10-21-23(17)26-16-29(25(21)32)15-22(30)27-19-13-11-18(12-14-19)24(31)28(2)20-8-4-3-5-9-20/h6-7,10-14,16,20H,3-5,8-9,15H2,1-2H3,(H,27,30)
InChIKeyRFGCMIWOZQEPQM-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.75
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide

N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide (PubChem CID 60549248) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
PubChem CID60549248
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)cnc12
InChIInChI=1S/C25H28N4O3/c1-17-7-6-10-21-23(17)26-16-29(25(21)32)15-22(30)27-19-13-11-18(12-14-19)24(31)28(2)20-8-4-3-5-9-20/h6-7,10-14,16,20H,3-5,8-9,15H2,1-2H3,(H,27,30)
InChIKeyRFGCMIWOZQEPQM-UHFFFAOYSA-N
XLogP3.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 27033610
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27023613
N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 43038095
N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 60552793

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide (CID 60549248) is N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide is Cc1cccc2c(=O)n(CC(=O)Nc3ccc(C(=O)N(C)C4CCCCC4)cc3)cnc12.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The InChIKey is RFGCMIWOZQEPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-7-6-10-21-23(17)26-16-29(25(21)32)15-22(30)27-19-13-11-18(12-14-19)24(31)28(2)20-8-4-3-5-9-20/h6-7,10-14,16,20H,3-5,8-9,15H2,1-2H3,(H,27,30).
What are the key properties of N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 60549248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).