N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C17H13Cl2N3O2 — CID 992765

IUPACN-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2N3O2/c18-12-5-3-7-14(16(12)19)21-15(23)8-9-22-10-20-13-6-2-1-4-11(13)17(22)24/h1-7,10H,8-9H2,(H,21,23)
InChIKeyBRIKCAAQKIFVPN-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.73
Rot. Bonds4

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

N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 992765) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID992765
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC NameN-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2N3O2/c18-12-5-3-7-14(16(12)19)21-15(23)8-9-22-10-20-13-6-2-1-4-11(13)17(22)24/h1-7,10H,8-9H2,(H,21,23)
InChIKeyBRIKCAAQKIFVPN-UHFFFAOYSA-N
XLogP3.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mecloqualone
CID 9567
1-(3-Chlorophenyl)quinazolin-4(1H)-one
CID 901934
3-(4-chlorophenyl)quinazolin-4(3H)-one
CID 328621
3-(3,4-Dichloro-phenyl)-2-methyl-3H-quinazolin-4-one
CID 588867
3-(4-chlorobenzyl)quinazolin-4(3H)-one
CID 677888
N-{(Z)-4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide
CID 9887463
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide
CID 10001256
3-(2-Chloro-4-nitro-phenyl)-3H-quinazolin-4-one
CID 823519
3-(3-Chloro-phenyl)-3H-quinazolin-4-one
CID 322321
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)benzamide
CID 11596603
3-(3,4-dichlorophenyl)quinazolin-4(3H)-one
CID 824243
3-[(3,4-Dichlorophenyl)methyl]quinazolin-4-one
CID 853211

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 992765) is N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is BRIKCAAQKIFVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-12-5-3-7-14(16(12)19)21-15(23)8-9-22-10-20-13-6-2-1-4-11(13)17(22)24/h1-7,10H,8-9H2,(H,21,23).
What are the key properties of N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 362.22 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 992765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).