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

C20H28ClN3O2 — CID 42716945

IUPACN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
SMILESCCCCCN(C(=O)CCC)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C20H28ClN3O2/c1-5-7-8-12-24(18(25)9-6-2)14(3)19-22-17-13-15(21)10-11-16(17)20(26)23(19)4/h10-11,13-14H,5-9,12H2,1-4H3
InChIKeyXHABNNYODNRAMD-UHFFFAOYSA-N
MW377.92 g/mol
LogP4.47
Rot. Bonds8

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

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide (PubChem CID 42716945) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
PubChem CID42716945
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
SMILESCCCCCN(C(=O)CCC)C(C)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C20H28ClN3O2/c1-5-7-8-12-24(18(25)9-6-2)14(3)19-22-17-13-15(21)10-11-16(17)20(26)23(19)4/h10-11,13-14H,5-9,12H2,1-4H3
InChIKeyXHABNNYODNRAMD-UHFFFAOYSA-N
XLogP4.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.47
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-ethylhexanamide
CID 42712294
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-[2-(dimethylamino)ethyl]heptanamide
CID 42714938
4-chloro-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42712263
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide
CID 3334969
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42711164
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-(4-chlorophenoxy)-N-ethylacetamide
CID 42712301
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide?
The IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide (CID 42716945) is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide.
What is the SMILES notation for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide?
The canonical SMILES for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide is CCCCCN(C(=O)CCC)C(C)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide?
The InChIKey is XHABNNYODNRAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-5-7-8-12-24(18(25)9-6-2)14(3)19-22-17-13-15(21)10-11-16(17)20(26)23(19)4/h10-11,13-14H,5-9,12H2,1-4H3.
What are the key properties of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide?
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide has a molecular weight of 377.92 g/mol, XLogP of 4.47, 8 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-pentylbutanamide is sourced from PubChem (CID 42716945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).