N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide

C22H22Cl3N3O2 — CID 42713904

IUPACN-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C22H22Cl3N3O2/c1-4-5-10-28(21(29)14-6-8-17(24)18(25)11-14)13(2)20-26-19-9-7-15(23)12-16(19)22(30)27(20)3/h6-9,11-13H,4-5,10H2,1-3H3
InChIKeyRPJINFKMJXJBGP-UHFFFAOYSA-N
MW466.80 g/mol
LogP5.90
Rot. Bonds6

About N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide

N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide (PubChem CID 42713904) has the molecular formula C22H22Cl3N3O2 and a molecular weight of 466.80 g/mol. Its IUPAC name is N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
PubChem CID42713904
Molecular FormulaC22H22Cl3N3O2
Molecular Weight466.80 g/mol
Exact Mass465.08
IUPAC NameN-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
SMILESCCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C22H22Cl3N3O2/c1-4-5-10-28(21(29)14-6-8-17(24)18(25)11-14)13(2)20-26-19-9-7-15(23)12-16(19)22(30)27(20)3/h6-9,11-13H,4-5,10H2,1-3H3
InChIKeyRPJINFKMJXJBGP-UHFFFAOYSA-N
XLogP5.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.80
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713910
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylnaphthalene-2-carboxamide
CID 42713947
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
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]cyclopentanecarboxamide
CID 42713909
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 42714182
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylbutanamide
CID 42716945
3-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42728275
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
CID 42728218

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide (CID 42713904) is N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide is CCCCN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C.
What is the InChIKey of N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
The InChIKey is RPJINFKMJXJBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl3N3O2/c1-4-5-10-28(21(29)14-6-8-17(24)18(25)11-14)13(2)20-26-19-9-7-15(23)12-16(19)22(30)27(20)3/h6-9,11-13H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide?
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide has a molecular weight of 466.80 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 42713904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).