4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide

C20H13ClFN5O — CID 71180061

IUPAC4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
SMILESNC(=O)c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C20H13ClFN5O/c21-15-9-13(4-5-16(15)22)25-20-14-8-11(18(23)28)3-6-17(14)26-19(27-20)12-2-1-7-24-10-12/h1-10H,(H2,23,28)(H,25,26,27)
InChIKeyNLBJKCJQQWHRRA-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.33
Rot. Bonds4

About 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide

4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide (PubChem CID 71180061) has the molecular formula C20H13ClFN5O and a molecular weight of 393.81 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
PubChem CID71180061
Molecular FormulaC20H13ClFN5O
Molecular Weight393.81 g/mol
Exact Mass393.08
IUPAC Name4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
SMILESNC(=O)c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C20H13ClFN5O/c21-15-9-13(4-5-16(15)22)25-20-14-8-11(18(23)28)3-6-17(14)26-19(27-20)12-2-1-7-24-10-12/h1-10H,(H2,23,28)(H,25,26,27)
InChIKeyNLBJKCJQQWHRRA-UHFFFAOYSA-N
XLogP4.33
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-fluoroanilino)-N-(2,2-dimethoxyethyl)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 89347895
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
CID 71274188
4-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]but-3-enenitrile
CID 67298078
3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol
CID 71181124
4-N-(3-chloro-4-fluorophenyl)-7-N-(oxan-4-yl)-2-pyridin-3-ylquinazoline-4,7-diamine
CID 71180955
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180050
7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 144500888
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-7-carbaldehyde;4-methyl-1,4-thiazinane 1-oxide
CID 144501243

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide (CID 71180061) is 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide is NC(=O)c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide?
The InChIKey is NLBJKCJQQWHRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN5O/c21-15-9-13(4-5-16(15)22)25-20-14-8-11(18(23)28)3-6-17(14)26-19(27-20)12-2-1-7-24-10-12/h1-10H,(H2,23,28)(H,25,26,27).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide?
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide has a molecular weight of 393.81 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71180061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).