7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine

C14H10Cl2N4 — CID 110181250

IUPAC7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine
SMILESNC1=Nc2ccc(Cl)nc2C(c2ccccc2Cl)=NC1
InChIInChI=1S/C14H10Cl2N4/c15-9-4-2-1-3-8(9)13-14-10(5-6-11(16)20-14)19-12(17)7-18-13/h1-6H,7H2,(H2,17,19)
InChIKeyHYWLXLQVIZHEPN-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.23
Rot. Bonds1

About 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine

7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine (PubChem CID 110181250) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine
PubChem CID110181250
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine
SMILESNC1=Nc2ccc(Cl)nc2C(c2ccccc2Cl)=NC1
InChIInChI=1S/C14H10Cl2N4/c15-9-4-2-1-3-8(9)13-14-10(5-6-11(16)20-14)19-12(17)7-18-13/h1-6H,7H2,(H2,17,19)
InChIKeyHYWLXLQVIZHEPN-UHFFFAOYSA-N
XLogP3.23
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine (CID 110181250) is 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine is NC1=Nc2ccc(Cl)nc2C(c2ccccc2Cl)=NC1.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine?
The InChIKey is HYWLXLQVIZHEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-9-4-2-1-3-8(9)13-14-10(5-6-11(16)20-14)19-12(17)7-18-13/h1-6H,7H2,(H2,17,19).
What are the key properties of 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine?
7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine has a molecular weight of 305.17 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chlorophenyl)-3H-pyrido[3,2-e][1,4]diazepin-2-amine is sourced from PubChem (CID 110181250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).