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

C19H26ClN3O2 — CID 42712294

IUPACN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide
SMILESCCCCCC(=O)N(CC)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C19H26ClN3O2/c1-5-7-8-9-17(24)23(6-2)13(3)18-21-16-12-14(20)10-11-15(16)19(25)22(18)4/h10-13H,5-9H2,1-4H3
InChIKeyUEIKQMRYDBUGBE-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.08
Rot. Bonds7

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

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide (PubChem CID 42712294) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide
PubChem CID42712294
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide
SMILESCCCCCC(=O)N(CC)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C19H26ClN3O2/c1-5-7-8-9-17(24)23(6-2)13(3)18-21-16-12-14(20)10-11-15(16)19(25)22(18)4/h10-13H,5-9H2,1-4H3
InChIKeyUEIKQMRYDBUGBE-UHFFFAOYSA-N
XLogP4.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.08
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-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)hexanamide
CID 42728261
4-chloro-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42712263
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
CID 42712301
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylheptanamide
CID 42714113
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide
CID 42712528
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 42712308
7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide?
The IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide (CID 42712294) is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide.
What is the SMILES notation for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide?
The canonical SMILES for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide is CCCCCC(=O)N(CC)C(C)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide?
The InChIKey is UEIKQMRYDBUGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-5-7-8-9-17(24)23(6-2)13(3)18-21-16-12-14(20)10-11-15(16)19(25)22(18)4/h10-13H,5-9H2,1-4H3.
What are the key properties of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide?
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide has a molecular weight of 363.89 g/mol, XLogP of 4.08, 7 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-methyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylhexanamide is sourced from PubChem (CID 42712294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).