N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine

C25H17ClFN5 — CID 71274008

IUPACN-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(-c2ccc3c(Nc4ccc(F)c(Cl)c4)nc(-c4cccnc4)nc3c2)cn1
InChIInChI=1S/C25H17ClFN5/c1-15-4-5-17(14-29-15)16-6-8-20-23(11-16)31-24(18-3-2-10-28-13-18)32-25(20)30-19-7-9-22(27)21(26)12-19/h2-14H,1H3,(H,30,31,32)
InChIKeyABPMIMJMGUIOJV-UHFFFAOYSA-N
MW441.90 g/mol
LogP6.60
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274008) has the molecular formula C25H17ClFN5 and a molecular weight of 441.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274008
Molecular FormulaC25H17ClFN5
Molecular Weight441.90 g/mol
Exact Mass441.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(-c2ccc3c(Nc4ccc(F)c(Cl)c4)nc(-c4cccnc4)nc3c2)cn1
InChIInChI=1S/C25H17ClFN5/c1-15-4-5-17(14-29-15)16-6-8-20-23(11-16)31-24(18-3-2-10-28-13-18)32-25(20)30-19-7-9-22(27)21(26)12-19/h2-14H,1H3,(H,30,31,32)
InChIKeyABPMIMJMGUIOJV-UHFFFAOYSA-N
XLogP6.60
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.90
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ngd-8243
CID 11247522
Nsc343227
CID 335083
SD-208
CID 10316032
Sri-9439
CID 446752
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
B-Raf inhibitor 1
CID 44223999
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
4-(3-Chloroanilino)quinazoline
CID 128872
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine
CID 6456587

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71274008) is N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine is Cc1ccc(-c2ccc3c(Nc4ccc(F)c(Cl)c4)nc(-c4cccnc4)nc3c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is ABPMIMJMGUIOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN5/c1-15-4-5-17(14-29-15)16-6-8-20-23(11-16)31-24(18-3-2-10-28-13-18)32-25(20)30-19-7-9-22(27)21(26)12-19/h2-14H,1H3,(H,30,31,32).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 441.90 g/mol, XLogP of 6.60, 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)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).