1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide

C28H38N4O4 — CID 178072000

IUPAC1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(N3Cc4c(C)cc(OCCN(C)C)cc4NC3=O)CCCCC2)ccc1C
InChIInChI=1S/C28H38N4O4/c1-19-9-10-21(16-25(19)35-5)29-26(33)28(11-7-6-8-12-28)32-18-23-20(2)15-22(36-14-13-31(3)4)17-24(23)30-27(32)34/h9-10,15-17H,6-8,11-14,18H2,1-5H3,(H,29,33)(H,30,34)
InChIKeySQKPXQVKDFHFLE-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.94
Rot. Bonds8

About 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide

1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 178072000) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID178072000
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(N3Cc4c(C)cc(OCCN(C)C)cc4NC3=O)CCCCC2)ccc1C
InChIInChI=1S/C28H38N4O4/c1-19-9-10-21(16-25(19)35-5)29-26(33)28(11-7-6-8-12-28)32-18-23-20(2)15-22(36-14-13-31(3)4)17-24(23)30-27(32)34/h9-10,15-17H,6-8,11-14,18H2,1-5H3,(H,29,33)(H,30,34)
InChIKeySQKPXQVKDFHFLE-UHFFFAOYSA-N
XLogP4.94
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-(hydrazinecarbonyl)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 178071988
1-[8-(azetidin-3-yloxy)-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 178072008
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
CID 119946458
ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine
CID 144693051
1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100677257
1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100666490
1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844438
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100730652
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645221
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
CID 119844483

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide (CID 178072000) is 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide is COc1cc(NC(=O)C2(N3Cc4c(C)cc(OCCN(C)C)cc4NC3=O)CCCCC2)ccc1C.
What is the InChIKey of 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is SQKPXQVKDFHFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-19-9-10-21(16-25(19)35-5)29-26(33)28(11-7-6-8-12-28)32-18-23-20(2)15-22(36-14-13-31(3)4)17-24(23)30-27(32)34/h9-10,15-17H,6-8,11-14,18H2,1-5H3,(H,29,33)(H,30,34).
What are the key properties of 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide?
1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[2-(dimethylamino)ethoxy]-5-methyl-2-oxo-1,4-dihydroquinazolin-3-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 178072000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).