N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine

C23H14ClFN4S — CID 71274188

IUPACN-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(-c4cccs4)cc23)cc1Cl
InChIInChI=1S/C23H14ClFN4S/c24-18-12-16(6-7-19(18)25)27-23-17-11-14(21-4-2-10-30-21)5-8-20(17)28-22(29-23)15-3-1-9-26-13-15/h1-13H,(H,27,28,29)
InChIKeyNADPKCQQSYBPJZ-UHFFFAOYSA-N
MW432.91 g/mol
LogP6.96
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine (PubChem CID 71274188) has the molecular formula C23H14ClFN4S and a molecular weight of 432.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
PubChem CID71274188
Molecular FormulaC23H14ClFN4S
Molecular Weight432.91 g/mol
Exact Mass432.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(-c4cccs4)cc23)cc1Cl
InChIInChI=1S/C23H14ClFN4S/c24-18-12-16(6-7-19(18)25)27-23-17-11-14(21-4-2-10-30-21)5-8-20(17)28-22(29-23)15-3-1-9-26-13-15/h1-13H,(H,27,28,29)
InChIKeyNADPKCQQSYBPJZ-UHFFFAOYSA-N
XLogP6.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
4-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]but-3-enenitrile
CID 67298078
4-(3-chloro-4-fluoroanilino)-N-methyl-2-pyridin-3-ylquinazoline-7-carboxamide
CID 71180244
4-(3-chloro-4-fluoroanilino)-N-(2,2-dimethoxyethyl)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 89347895
3-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]propan-1-ol
CID 71181124
2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
CID 71180181
4-N-(3-chloro-4-fluorophenyl)-7-N-(oxan-4-yl)-2-pyridin-3-ylquinazoline-4,7-diamine
CID 71180955
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
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine (CID 71274188) is N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine is Fc1ccc(Nc2nc(-c3cccnc3)nc3ccc(-c4cccs4)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine?
The InChIKey is NADPKCQQSYBPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4S/c24-18-12-16(6-7-19(18)25)27-23-17-11-14(21-4-2-10-30-21)5-8-20(17)28-22(29-23)15-3-1-9-26-13-15/h1-13H,(H,27,28,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine has a molecular weight of 432.91 g/mol, XLogP of 6.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 71274188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).