N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide

C18H15Cl2N3O2 — CID 46666719

IUPACN-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c19-12-7-8-14(20)16(10-12)22-17(24)6-3-9-23-11-21-15-5-2-1-4-13(15)18(23)25/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,22,24)
InChIKeyDVXJYEKUQZNDGM-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.12
Rot. Bonds5

About N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide

N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 46666719) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID46666719
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N3O2/c19-12-7-8-14(20)16(10-12)22-17(24)6-3-9-23-11-21-15-5-2-1-4-13(15)18(23)25/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,22,24)
InChIKeyDVXJYEKUQZNDGM-UHFFFAOYSA-N
XLogP4.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 9440401
N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
N,3-dimethyl-4-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzamide
CID 131941837
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30179121
N-[2-fluoro-5-[4-(4-oxoquinazolin-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide
CID 30804576
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
methyl 2-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate
CID 4905503
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573190
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide (CID 46666719) is N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is DVXJYEKUQZNDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-12-7-8-14(20)16(10-12)22-17(24)6-3-9-23-11-21-15-5-2-1-4-13(15)18(23)25/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,22,24).
What are the key properties of N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide?
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 376.24 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 46666719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).