N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide

C22H32ClN3O2 — CID 42712528

IUPACN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide
SMILESCCCCCCC(=O)N(CC)C(CC)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C22H32ClN3O2/c1-5-9-10-11-12-20(27)25(7-3)19(6-2)21-24-18-15-16(23)13-14-17(18)22(28)26(21)8-4/h13-15,19H,5-12H2,1-4H3
InChIKeyNCMWYVLUXDDYDO-UHFFFAOYSA-N
MW405.97 g/mol
LogP5.34
Rot. Bonds10

About N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide

N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide (PubChem CID 42712528) has the molecular formula C22H32ClN3O2 and a molecular weight of 405.97 g/mol. Its IUPAC name is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide
PubChem CID42712528
Molecular FormulaC22H32ClN3O2
Molecular Weight405.97 g/mol
Exact Mass405.22
IUPAC NameN-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide
SMILESCCCCCCC(=O)N(CC)C(CC)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C22H32ClN3O2/c1-5-9-10-11-12-20(27)25(7-3)19(6-2)21-24-18-15-16(23)13-14-17(18)22(28)26(21)8-4/h13-15,19H,5-12H2,1-4H3
InChIKeyNCMWYVLUXDDYDO-UHFFFAOYSA-N
XLogP5.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.97
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylheptanamide
CID 42714113
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide
CID 42712294
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea
CID 42712900
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide
CID 42714210
7-chloro-3-ethyl-2-[(1S)-1-(hexylamino)ethyl]quinazolin-4-one
CID 7361055
7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one
CID 7415245
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide?
The IUPAC name of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide (CID 42712528) is N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide.
What is the SMILES notation for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide?
The canonical SMILES for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide is CCCCCCC(=O)N(CC)C(CC)c1nc2cc(Cl)ccc2c(=O)n1CC.
What is the InChIKey of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide?
The InChIKey is NCMWYVLUXDDYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O2/c1-5-9-10-11-12-20(27)25(7-3)19(6-2)21-24-18-15-16(23)13-14-17(18)22(28)26(21)8-4/h13-15,19H,5-12H2,1-4H3.
What are the key properties of N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide?
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide has a molecular weight of 405.97 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide is sourced from PubChem (CID 42712528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).