N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide

C23H26ClN3O3 — CID 42728218

IUPACN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
SMILESCOCCCN(C(=O)c1ccc(C)cc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C23H26ClN3O3/c1-15-6-8-17(9-7-15)22(28)27(12-5-13-30-4)16(2)21-25-20-14-18(24)10-11-19(20)23(29)26(21)3/h6-11,14,16H,5,12-13H2,1-4H3
InChIKeyLTMBJUJVGBPVLK-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.14
Rot. Bonds7

About N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide (PubChem CID 42728218) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
PubChem CID42728218
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
SMILESCOCCCN(C(=O)c1ccc(C)cc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C23H26ClN3O3/c1-15-6-8-17(9-7-15)22(28)27(12-5-13-30-4)16(2)21-25-20-14-18(24)10-11-19(20)23(29)26(21)3/h6-11,14,16H,5,12-13H2,1-4H3
InChIKeyLTMBJUJVGBPVLK-UHFFFAOYSA-N
XLogP4.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.14
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

3-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42728275
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)hexanamide
CID 42728261
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide
CID 42728268
N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 4666240
N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide
CID 3334969
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide
CID 42712390
4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 42727890
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 42728858

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide?
The IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide (CID 42728218) is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide.
What is the SMILES notation for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide?
The canonical SMILES for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide is COCCCN(C(=O)c1ccc(C)cc1)C(C)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide?
The InChIKey is LTMBJUJVGBPVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-15-6-8-17(9-7-15)22(28)27(12-5-13-30-4)16(2)21-25-20-14-18(24)10-11-19(20)23(29)26(21)3/h6-11,14,16H,5,12-13H2,1-4H3.
What are the key properties of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide?
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide has a molecular weight of 427.93 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide is sourced from PubChem (CID 42728218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).