N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide

C19H16ClFN4O — CID 42930849

IUPACN-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C19H16ClFN4O/c20-12-7-8-16(14(21)10-12)24-19(26)17-6-3-9-25(17)18-13-4-1-2-5-15(13)22-11-23-18/h1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,24,26)
InChIKeyATGQBIBWWFWRLL-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.03
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide

N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide (PubChem CID 42930849) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
PubChem CID42930849
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C19H16ClFN4O/c20-12-7-8-16(14(21)10-12)24-19(26)17-6-3-9-25(17)18-13-4-1-2-5-15(13)22-11-23-18/h1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,24,26)
InChIKeyATGQBIBWWFWRLL-UHFFFAOYSA-N
XLogP4.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-((4,5-dichloro-2-fluorophenyl)amino)quinazolin-6-yl)acrylamide
CID 10362209
N-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yl)acrylamide
CID 9974694
N-[3-(4-Aminoquinazolin-6-Yl)-5-Fluorophenyl]-2-(Pyrrolidin-1-Yl)acetamide
CID 72705490
(E)-4-Dimethylamino-but-2-enoic acid [4-(4,5-dichloro-2-fluoro-phenylamino)-quinazolin-6-yl]-amide
CID 21080010
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]acetamide
CID 127048978
N-[4-(3,4-dichloro-5-fluoroanilino)quinazolin-6-yl]prop-2-enamide
CID 122189248
[4-(3-Chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 11246455
N-{4-[4-(4-Chloro-phenylamino)-quinazolin-2-ylamino]-cyclohexylmethyl}-acetamide
CID 44271525
N-{4-[4-(4-Chloro-phenylamino)-quinazolin-2-ylamino]-cyclohexylmethyl}-N-methyl-acetamide
CID 44271533
1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-indol-2-ylmethyl)-piperazin-2-one
CID 44383519
(R)-2-amino-3-(3,4-dichlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52941555

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide (CID 42930849) is N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1F)C1CCCN1c1ncnc2ccccc12.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is ATGQBIBWWFWRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-12-7-8-16(14(21)10-12)24-19(26)17-6-3-9-25(17)18-13-4-1-2-5-15(13)22-11-23-18/h1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,24,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42930849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).