N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide

C21H23N3O3 — CID 34032078

IUPACN-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCOc1ccccc1CCNC(=O)CCCn1cnc2ccccc2c1=O
InChIInChI=1S/C21H23N3O3/c1-27-19-10-5-2-7-16(19)12-13-22-20(25)11-6-14-24-15-23-18-9-4-3-8-17(18)21(24)26/h2-5,7-10,15H,6,11-14H2,1H3,(H,22,25)
InChIKeyFTEVBCQQYUIWIL-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.54
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 34032078) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID34032078
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESCOc1ccccc1CCNC(=O)CCCn1cnc2ccccc2c1=O
InChIInChI=1S/C21H23N3O3/c1-27-19-10-5-2-7-16(19)12-13-22-20(25)11-6-14-24-15-23-18-9-4-3-8-17(18)21(24)26/h2-5,7-10,15H,6,11-14H2,1H3,(H,22,25)
InChIKeyFTEVBCQQYUIWIL-UHFFFAOYSA-N
XLogP2.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30215788
N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 29292801
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 55908483
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90575511
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995429
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide
CID 75490053
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 46666783
N-[2-(4-tert-butylphenyl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46442118
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 34032078) is N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide is COc1ccccc1CCNC(=O)CCCn1cnc2ccccc2c1=O.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is FTEVBCQQYUIWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-19-10-5-2-7-16(19)12-13-22-20(25)11-6-14-24-15-23-18-9-4-3-8-17(18)21(24)26/h2-5,7-10,15H,6,11-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 365.43 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 34032078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).