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

C25H30ClN3O3 — CID 42728268

IUPACN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(CCCOC)C(C)c1nc2cc(Cl)ccc2c(=O)n1C)c1ccccc1
InChIInChI=1S/C25H30ClN3O3/c1-5-20(18-10-7-6-8-11-18)25(31)29(14-9-15-32-4)17(2)23-27-22-16-19(26)12-13-21(22)24(30)28(23)3/h6-8,10-13,16-17,20H,5,9,14-15H2,1-4H3
InChIKeyMKOFOTZQYKJWTP-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.71
Rot. Bonds9

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

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide (PubChem CID 42728268) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide
PubChem CID42728268
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC NameN-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(CCCOC)C(C)c1nc2cc(Cl)ccc2c(=O)n1C)c1ccccc1
InChIInChI=1S/C25H30ClN3O3/c1-5-20(18-10-7-6-8-11-18)25(31)29(14-9-15-32-4)17(2)23-27-22-16-19(26)12-13-21(22)24(30)28(23)3/h6-8,10-13,16-17,20H,5,9,14-15H2,1-4H3
InChIKeyMKOFOTZQYKJWTP-UHFFFAOYSA-N
XLogP4.71
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.71
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

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)hexanamide
CID 42728261
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)-4-methylbenzamide
CID 42728218
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
N-(6-aminohexyl)-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-methoxyacetamide
CID 3334969
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
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]-N-ethylhexanamide
CID 42712294
N-(6-aminohexyl)-2-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 5115824
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42711164

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide?
The IUPAC name of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide (CID 42728268) is N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide.
What is the SMILES notation for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide?
The canonical SMILES for N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide is CCC(C(=O)N(CCCOC)C(C)c1nc2cc(Cl)ccc2c(=O)n1C)c1ccccc1.
What is the InChIKey of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide?
The InChIKey is MKOFOTZQYKJWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-5-20(18-10-7-6-8-11-18)25(31)29(14-9-15-32-4)17(2)23-27-22-16-19(26)12-13-21(22)24(30)28(23)3/h6-8,10-13,16-17,20H,5,9,14-15H2,1-4H3.
What are the key properties of N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide?
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylbutanamide has a molecular weight of 455.99 g/mol, XLogP of 4.71, 9 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)-2-phenylbutanamide is sourced from PubChem (CID 42728268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).