N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide

C25H29N3O3 — CID 42722454

IUPACN-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide
SMILESCCOc1ccccc1-n1c(C(C)N(CC)C(=O)C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C25H29N3O3/c1-4-27(24(29)18-11-10-12-18)17(3)23-26-20-14-7-6-13-19(20)25(30)28(23)21-15-8-9-16-22(21)31-5-2/h6-9,13-18H,4-5,10-12H2,1-3H3
InChIKeyZGYFSNQNCYGKLG-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.49
Rot. Bonds7

About N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide

N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide (PubChem CID 42722454) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide
PubChem CID42722454
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide
SMILESCCOc1ccccc1-n1c(C(C)N(CC)C(=O)C2CCC2)nc2ccccc2c1=O
InChIInChI=1S/C25H29N3O3/c1-4-27(24(29)18-11-10-12-18)17(3)23-26-20-14-7-6-13-19(20)25(30)28(23)21-15-8-9-16-22(21)31-5-2/h6-9,13-18H,4-5,10-12H2,1-3H3
InChIKeyZGYFSNQNCYGKLG-UHFFFAOYSA-N
XLogP4.49
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclohexanecarboxamide
CID 4316096
N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42720989
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42721505
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42722498
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 11633288
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-3-fluorobenzamide
CID 42722451
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42722529
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclobutanecarboxamide
CID 42721655
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide
CID 42719916
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 42721674
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2,2-diphenylacetamide
CID 42722470
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide
CID 42722539

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide?
The IUPAC name of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide (CID 42722454) is N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide?
The canonical SMILES for N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide is CCOc1ccccc1-n1c(C(C)N(CC)C(=O)C2CCC2)nc2ccccc2c1=O.
What is the InChIKey of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide?
The InChIKey is ZGYFSNQNCYGKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-27(24(29)18-11-10-12-18)17(3)23-26-20-14-7-6-13-19(20)25(30)28(23)21-15-8-9-16-22(21)31-5-2/h6-9,13-18H,4-5,10-12H2,1-3H3.
What are the key properties of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide?
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide is sourced from PubChem (CID 42722454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).