6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene

C26H23Cl3N4 — CID 144500921

IUPAC6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.Cc1cc(Cl)c(Nc2nc(-c3cccnc3)nc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C20H13Cl3N4.C6H10/c1-11-7-16(23)18(9-15(11)22)26-20-14-8-13(21)4-5-17(14)25-19(27-20)12-3-2-6-24-10-12;1-3-5-6-4-2/h2-10H,1H3,(H,25,26,27);3-6H,1-2H3/b;5-3-,6-4-
InChIKeyYPRHQCBQGRVGGR-NFAXKJQBSA-N
MW497.86 g/mol
LogP8.84
Rot. Bonds4

About 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene

6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene (PubChem CID 144500921) has the molecular formula C26H23Cl3N4 and a molecular weight of 497.86 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene.

Molecular Properties

Compound Name6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene
PubChem CID144500921
Molecular FormulaC26H23Cl3N4
Molecular Weight497.86 g/mol
Exact Mass496.10
IUPAC Name6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene
SMILESC/C=C\C=C/C.Cc1cc(Cl)c(Nc2nc(-c3cccnc3)nc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C20H13Cl3N4.C6H10/c1-11-7-16(23)18(9-15(11)22)26-20-14-8-13(21)4-5-17(14)25-19(27-20)12-3-2-6-24-10-12;1-3-5-6-4-2/h2-10H,1H3,(H,25,26,27);3-6H,1-2H3/b;5-3-,6-4-
InChIKeyYPRHQCBQGRVGGR-NFAXKJQBSA-N
XLogP8.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.86
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylcyclohepta-1,3,5,6-tetraen-1-ol
CID 135127890
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-cyclopropylbenzamide
CID 71181047
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
N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 144501300
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180077
methyl 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-3-carboxylate
CID 71274429

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene?
The IUPAC name of 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene (CID 144500921) is 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene.
What is the SMILES notation for 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene?
The canonical SMILES for 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene is C/C=C\C=C/C.Cc1cc(Cl)c(Nc2nc(-c3cccnc3)nc3ccc(Cl)cc23)cc1Cl.
What is the InChIKey of 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene?
The InChIKey is YPRHQCBQGRVGGR-NFAXKJQBSA-N. The full InChI is InChI=1S/C20H13Cl3N4.C6H10/c1-11-7-16(23)18(9-15(11)22)26-20-14-8-13(21)4-5-17(14)25-19(27-20)12-3-2-6-24-10-12;1-3-5-6-4-2/h2-10H,1H3,(H,25,26,27);3-6H,1-2H3/b;5-3-,6-4-.
What are the key properties of 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene?
6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene has a molecular weight of 497.86 g/mol, XLogP of 8.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene is sourced from PubChem (CID 144500921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).