7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine

C20H13Cl3N4O — CID 71179804

IUPAC7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cc2c(Nc3cc(Cl)cc(Cl)c3)nc(-c3cccnc3)nc2cc1Cl
InChIInChI=1S/C20H13Cl3N4O/c1-28-18-8-15-17(9-16(18)23)26-19(11-3-2-4-24-10-11)27-20(15)25-14-6-12(21)5-13(22)7-14/h2-10H,1H3,(H,25,26,27)
InChIKeyZKPUDQYIBWZDCK-UHFFFAOYSA-N
MW431.71 g/mol
LogP6.40
Rot. Bonds4

About 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine

7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71179804) has the molecular formula C20H13Cl3N4O and a molecular weight of 431.71 g/mol. Its IUPAC name is 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71179804
Molecular FormulaC20H13Cl3N4O
Molecular Weight431.71 g/mol
Exact Mass430.02
IUPAC Name7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cc2c(Nc3cc(Cl)cc(Cl)c3)nc(-c3cccnc3)nc2cc1Cl
InChIInChI=1S/C20H13Cl3N4O/c1-28-18-8-15-17(9-16(18)23)26-19(11-3-2-4-24-10-11)27-20(15)25-14-6-12(21)5-13(22)7-14/h2-10H,1H3,(H,25,26,27)
InChIKeyZKPUDQYIBWZDCK-UHFFFAOYSA-N
XLogP6.40
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine (CID 71179804) is 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine is COc1cc2c(Nc3cc(Cl)cc(Cl)c3)nc(-c3cccnc3)nc2cc1Cl.
What is the InChIKey of 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is ZKPUDQYIBWZDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N4O/c1-28-18-8-15-17(9-16(18)23)26-19(11-3-2-4-24-10-11)27-20(15)25-14-6-12(21)5-13(22)7-14/h2-10H,1H3,(H,25,26,27).
What are the key properties of 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 431.71 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71179804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).