7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine

C15H15ClN4 — CID 135457989

IUPAC7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine
SMILESC/N=C1\CN(c2ccccc2)Cc2nc(Cl)ccc2N1
InChIInChI=1S/C15H15ClN4/c1-17-15-10-20(11-5-3-2-4-6-11)9-13-12(19-15)7-8-14(16)18-13/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyJRAVPEPRAUGIIX-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.20
Rot. Bonds1

About 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine

7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine (PubChem CID 135457989) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine.

Molecular Properties

Compound Name7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine
PubChem CID135457989
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine
SMILESC/N=C1\CN(c2ccccc2)Cc2nc(Cl)ccc2N1
InChIInChI=1S/C15H15ClN4/c1-17-15-10-20(11-5-3-2-4-6-11)9-13-12(19-15)7-8-14(16)18-13/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyJRAVPEPRAUGIIX-UHFFFAOYSA-N
XLogP3.20
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-4-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 44530798
7-chloro-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-one
CID 389481
7-chloro-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepine-2-thione
CID 3002113
3-amino-N'-(3-chloro-4-fluorophenyl)pyridine-2-carboximidamide
CID 144234362
3-amino-N'-(3-chloro-4-fluorophenyl)-6-fluoropyridine-2-carboximidamide
CID 144234410
3-amino-N'-(3-chloro-5-fluorophenyl)pyridine-2-carboximidamide
CID 144234411
6-chloro-3-N-phenyl-4-N-propan-2-yl-2-(trifluoromethyl)pyridine-3,4-diamine
CID 175056743
6-(aminomethyl)-5-chloro-N-ethyl-N-(2-fluorophenyl)pyridin-2-amine
CID 55054402
6-(aminomethyl)-5-chloro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 55054836
6-(aminomethyl)-5-chloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 55054976
5-chloro-6-[(N-ethyl-2-fluoroanilino)methyl]pyridin-2-amine
CID 55127540
5-chloro-6-[(4-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55127636

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine?
The IUPAC name of 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine (CID 135457989) is 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine.
What is the SMILES notation for 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine?
The canonical SMILES for 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine is C/N=C1\CN(c2ccccc2)Cc2nc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine?
The InChIKey is JRAVPEPRAUGIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-17-15-10-20(11-5-3-2-4-6-11)9-13-12(19-15)7-8-14(16)18-13/h2-8H,9-10H2,1H3,(H,17,19).
What are the key properties of 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine?
7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine has a molecular weight of 286.77 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-imine is sourced from PubChem (CID 135457989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).