6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine

C19H13Cl2N5 — CID 144500597

IUPAC6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine
SMILESCc1cc(Cl)cc(Nc2nc(-c3cnccn3)nc3ccc(Cl)cc23)c1
InChIInChI=1S/C19H13Cl2N5/c1-11-6-13(21)8-14(7-11)24-18-15-9-12(20)2-3-16(15)25-19(26-18)17-10-22-4-5-23-17/h2-10H,1H3,(H,24,25,26)
InChIKeyFFICIWRQONZAMD-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.45
Rot. Bonds3

About 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine

6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine (PubChem CID 144500597) has the molecular formula C19H13Cl2N5 and a molecular weight of 382.25 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine
PubChem CID144500597
Molecular FormulaC19H13Cl2N5
Molecular Weight382.25 g/mol
Exact Mass381.05
IUPAC Name6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine
SMILESCc1cc(Cl)cc(Nc2nc(-c3cnccn3)nc3ccc(Cl)cc23)c1
InChIInChI=1S/C19H13Cl2N5/c1-11-6-13(21)8-14(7-11)24-18-15-9-12(20)2-3-16(15)25-19(26-18)17-10-22-4-5-23-17/h2-10H,1H3,(H,24,25,26)
InChIKeyFFICIWRQONZAMD-UHFFFAOYSA-N
XLogP5.45
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine
CID 144500782
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
6-iodo-N-methyl-2-pyrazin-2-ylquinazolin-4-amine
CID 67297986
6-chloro-N-(3,5-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180045
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene
CID 144500921
2-pyrazin-2-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 71180611
7-chloro-N-(3,5-dichlorophenyl)-2-pyridazin-4-ylquinazolin-4-amine
CID 71180993
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804
4-chloro-6-methyl-2-pyrazin-2-ylpyrimidine
CID 43807323
6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180077

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine?
The IUPAC name of 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine (CID 144500597) is 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine is Cc1cc(Cl)cc(Nc2nc(-c3cnccn3)nc3ccc(Cl)cc23)c1.
What is the InChIKey of 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine?
The InChIKey is FFICIWRQONZAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5/c1-11-6-13(21)8-14(7-11)24-18-15-9-12(20)2-3-16(15)25-19(26-18)17-10-22-4-5-23-17/h2-10H,1H3,(H,24,25,26).
What are the key properties of 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine?
6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine has a molecular weight of 382.25 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-5-methylphenyl)-2-pyrazin-2-ylquinazolin-4-amine is sourced from PubChem (CID 144500597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).