N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide

C20H27N3O4 — CID 46558346

IUPACN-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
SMILESCOc1cc2ncn(CCCC(=O)NC3CCCCC3)c(=O)c2cc1OC
InChIInChI=1S/C20H27N3O4/c1-26-17-11-15-16(12-18(17)27-2)21-13-23(20(15)25)10-6-9-19(24)22-14-7-4-3-5-8-14/h11-14H,3-10H2,1-2H3,(H,22,24)
InChIKeyIERQKSHERHUGGS-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.64
Rot. Bonds7

About N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide

N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide (PubChem CID 46558346) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
PubChem CID46558346
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
SMILESCOc1cc2ncn(CCCC(=O)NC3CCCCC3)c(=O)c2cc1OC
InChIInChI=1S/C20H27N3O4/c1-26-17-11-15-16(12-18(17)27-2)21-13-23(20(15)25)10-6-9-19(24)22-14-7-4-3-5-8-14/h11-14H,3-10H2,1-2H3,(H,22,24)
InChIKeyIERQKSHERHUGGS-UHFFFAOYSA-N
XLogP2.64
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide
CID 119427582
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 55658444
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55471462
6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 119491763
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
N-(1-adamantylmethyl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 55455149
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)butanamide
CID 55519525
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 55455013
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2-diphenylethyl)butanamide
CID 46461895

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide (CID 46558346) is N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide is COc1cc2ncn(CCCC(=O)NC3CCCCC3)c(=O)c2cc1OC.
What is the InChIKey of N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is IERQKSHERHUGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-26-17-11-15-16(12-18(17)27-2)21-13-23(20(15)25)10-6-9-19(24)22-14-7-4-3-5-8-14/h11-14H,3-10H2,1-2H3,(H,22,24).
What are the key properties of N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide?
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 373.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 46558346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).