3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide

C22H22Cl3N3O3 — CID 42712390

IUPAC3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide
SMILESCCn1c(C(C)N(CCOC)C(=O)c2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H22Cl3N3O3/c1-4-27-20(26-19-12-15(23)6-7-16(19)22(27)30)13(2)28(9-10-31-3)21(29)14-5-8-17(24)18(25)11-14/h5-8,11-13H,4,9-10H2,1-3H3
InChIKeyMNUSQWVYIABIDV-UHFFFAOYSA-N
MW482.80 g/mol
LogP5.23
Rot. Bonds7

About 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide

3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 42712390) has the molecular formula C22H22Cl3N3O3 and a molecular weight of 482.80 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide
PubChem CID42712390
Molecular FormulaC22H22Cl3N3O3
Molecular Weight482.80 g/mol
Exact Mass481.07
IUPAC Name3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide
SMILESCCn1c(C(C)N(CCOC)C(=O)c2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H22Cl3N3O3/c1-4-27-20(26-19-12-15(23)6-7-16(19)22(27)30)13(2)28(9-10-31-3)21(29)14-5-8-17(24)18(25)11-14/h5-8,11-13H,4,9-10H2,1-3H3
InChIKeyMNUSQWVYIABIDV-UHFFFAOYSA-N
XLogP5.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.80
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42729100
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 42714597
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-4-methylbenzamide
CID 42728218
3-bromo-N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)benzamide
CID 42728275
[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium
CID 7144752
2-chloro-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)-4-nitrobenzamide
CID 42711720
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)naphthalene-2-carboxamide
CID 42728594
N-(2-methoxyethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-2-carboxamide
CID 42711604
ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42712369
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
CID 42714594

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide (CID 42712390) is 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide is CCn1c(C(C)N(CCOC)C(=O)c2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is MNUSQWVYIABIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl3N3O3/c1-4-27-20(26-19-12-15(23)6-7-16(19)22(27)30)13(2)28(9-10-31-3)21(29)14-5-8-17(24)18(25)11-14/h5-8,11-13H,4,9-10H2,1-3H3.
What are the key properties of 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide?
3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 482.80 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 42712390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).