7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide

C15H9Cl2FN4O — CID 173085560

IUPAC7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide
SMILESNC(=O)c1nc(Nc2ccc(F)c(Cl)c2)c2ccc(Cl)cc2n1
InChIInChI=1S/C15H9Cl2FN4O/c16-7-1-3-9-12(5-7)21-15(13(19)23)22-14(9)20-8-2-4-11(18)10(17)6-8/h1-6H,(H2,19,23)(H,20,21,22)
InChIKeyHTEQHNSYUVPPDO-UHFFFAOYSA-N
MW351.17 g/mol
LogP3.92
Rot. Bonds3

About 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide

7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide (PubChem CID 173085560) has the molecular formula C15H9Cl2FN4O and a molecular weight of 351.17 g/mol. Its IUPAC name is 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide
PubChem CID173085560
Molecular FormulaC15H9Cl2FN4O
Molecular Weight351.17 g/mol
Exact Mass350.01
IUPAC Name7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide
SMILESNC(=O)c1nc(Nc2ccc(F)c(Cl)c2)c2ccc(Cl)cc2n1
InChIInChI=1S/C15H9Cl2FN4O/c16-7-1-3-9-12(5-7)21-15(13(19)23)22-14(9)20-8-2-4-11(18)10(17)6-8/h1-6H,(H2,19,23)(H,20,21,22)
InChIKeyHTEQHNSYUVPPDO-UHFFFAOYSA-N
XLogP3.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-fluoroanilino)-7-propan-2-yloxyquinazoline-2-carboxamide
CID 172995306
4-(3-chloro-4-fluoroanilino)-7-(fluoromethoxy)quinazoline-2-carboxamide
CID 172995353
4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazoline-2-carboxamide
CID 172995354
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-fluoroquinazoline-2-carboxamide
CID 90980287
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
4-(4,5-dichloro-2-fluoroanilino)-7-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]quinazoline-2-carboxamide
CID 173158933
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
4-[3-chloro-4-(furan-3-ylmethoxy)anilino]quinazoline-2-carboxamide
CID 173306474
3-N-(3-chloro-4-fluorophenyl)quinoxaline-2,3-diamine
CID 102983660
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide?
The IUPAC name of 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide (CID 173085560) is 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide.
What is the SMILES notation for 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide?
The canonical SMILES for 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide is NC(=O)c1nc(Nc2ccc(F)c(Cl)c2)c2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide?
The InChIKey is HTEQHNSYUVPPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4O/c16-7-1-3-9-12(5-7)21-15(13(19)23)22-14(9)20-8-2-4-11(18)10(17)6-8/h1-6H,(H2,19,23)(H,20,21,22).
What are the key properties of 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide?
7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide has a molecular weight of 351.17 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(3-chloro-4-fluoroanilino)quinazoline-2-carboxamide is sourced from PubChem (CID 173085560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).