3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide

C23H25Cl2N3O3 — CID 42729100

IUPAC3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
SMILESCCn1c(C(C)N(CCCOC)C(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O
InChIInChI=1S/C23H25Cl2N3O3/c1-4-27-21(26-20-9-6-5-8-17(20)23(27)30)15(2)28(12-7-13-31-3)22(29)16-10-11-18(24)19(25)14-16/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3
InChIKeyWVYQDAQMRUAVCV-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.96
Rot. Bonds8

About 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide

3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide (PubChem CID 42729100) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
PubChem CID42729100
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC Name3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
SMILESCCn1c(C(C)N(CCCOC)C(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O
InChIInChI=1S/C23H25Cl2N3O3/c1-4-27-21(26-20-9-6-5-8-17(20)23(27)30)15(2)28(12-7-13-31-3)22(29)16-10-11-18(24)19(25)14-16/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3
InChIKeyWVYQDAQMRUAVCV-UHFFFAOYSA-N
XLogP4.96
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)naphthalene-2-carboxamide
CID 42728594
3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide
CID 42712390
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42729114
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 42729093
2-chloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-4-nitrobenzamide
CID 42711720
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673
4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 42727890
N-(2-methoxyethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-2-carboxamide
CID 42711604
3-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 3447116
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-3-nitro-N-pentylbenzamide
CID 42716796
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 42728858
3-(2,3-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methoxypropyl)urea
CID 42728617

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide (CID 42729100) is 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide is CCn1c(C(C)N(CCCOC)C(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O.
What is the InChIKey of 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is WVYQDAQMRUAVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c1-4-27-21(26-20-9-6-5-8-17(20)23(27)30)15(2)28(12-7-13-31-3)22(29)16-10-11-18(24)19(25)14-16/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3.
What are the key properties of 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide?
3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 462.38 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 42729100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).