2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide

C19H19Cl2N3O3 — CID 42711860

IUPAC2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)C(Cl)Cl
InChIInChI=1S/C19H19Cl2N3O3/c1-3-15(24(19(26)16(20)21)11-12-7-6-10-27-12)17-22-14-9-5-4-8-13(14)18(25)23(17)2/h4-10,15-16H,3,11H2,1-2H3
InChIKeyOAJBHHBTJPKEER-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.81
Rot. Bonds6

About 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide

2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide (PubChem CID 42711860) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide
PubChem CID42711860
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Name2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)C(Cl)Cl
InChIInChI=1S/C19H19Cl2N3O3/c1-3-15(24(19(26)16(20)21)11-12-7-6-10-27-12)17-22-14-9-5-4-8-13(14)18(25)23(17)2/h4-10,15-16H,3,11H2,1-2H3
InChIKeyOAJBHHBTJPKEER-UHFFFAOYSA-N
XLogP3.81
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712578
3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42713639
4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide
CID 5144965
2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723423
3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42723191
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 5197721
2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719281
3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea
CID 4667171
1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-ylurea
CID 42712560
3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42711191
N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
CID 42711941
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide?
The IUPAC name of 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide (CID 42711860) is 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide is CCC(c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide?
The InChIKey is OAJBHHBTJPKEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-3-15(24(19(26)16(20)21)11-12-7-6-10-27-12)17-22-14-9-5-4-8-13(14)18(25)23(17)2/h4-10,15-16H,3,11H2,1-2H3.
What are the key properties of 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide?
2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide has a molecular weight of 408.29 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide is sourced from PubChem (CID 42711860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).