3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine

C23H23ClN4 — CID 15586684

IUPAC3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2C(c2cccc(Cl)c2)=Nc2cccnc21
InChIInChI=1S/C23H23ClN4/c1-27(2)14-7-15-28-21-12-4-3-10-19(21)22(17-8-5-9-18(24)16-17)26-20-11-6-13-25-23(20)28/h3-6,8-13,16H,7,14-15H2,1-2H3
InChIKeyGEASQYOWLOGKQJ-UHFFFAOYSA-N
MW390.92 g/mol
LogP5.31
Rot. Bonds5

About 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine

3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine (PubChem CID 15586684) has the molecular formula C23H23ClN4 and a molecular weight of 390.92 g/mol. Its IUPAC name is 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine
PubChem CID15586684
Molecular FormulaC23H23ClN4
Molecular Weight390.92 g/mol
Exact Mass390.16
IUPAC Name3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2C(c2cccc(Cl)c2)=Nc2cccnc21
InChIInChI=1S/C23H23ClN4/c1-27(2)14-7-15-28-21-12-4-3-10-19(21)22(17-8-5-9-18(24)16-17)26-20-11-6-13-25-23(20)28/h3-6,8-13,16H,7,14-15H2,1-2H3
InChIKeyGEASQYOWLOGKQJ-UHFFFAOYSA-N
XLogP5.31
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.92
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

but-2-enedioic acid;3-(8-chloro-6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)-N,N-dimethylpropan-1-amine
CID 70491500
N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine
CID 15586667
3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 139362521
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
CID 71587927
(E)-but-2-enedioic acid;6-phenyl-11-(3-piperidin-1-ylpropyl)pyrido[2,3-b][1,4]benzodiazepine
CID 15586673
but-2-enedioic acid;N,N,2-trimethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine
CID 70353237
3-pyrido[3,2-b][1,4]benzothiazin-10-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 71751860
11-[3-[di(propan-2-yl)amino]propyl]-5-methylpyrido[2,3-b][1,4]benzodiazepin-6-one
CID 21438315
N,N-dimethyl-3-(18-thia-11,13-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaen-11-yl)propan-1-amine
CID 110174266
3-[9-[3-(dimethylamino)propyl]-5-nitro-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-2-yl]-N,N-dimethylpropan-1-amine
CID 11761176
N,N-dimethyl-3-(6-phenyl-5,6-dihydropyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine;hydrate;dihydrochloride
CID 15586708
1-[10-[3-(dimethylamino)propyl]pyrido[3,2-b][1,4]benzothiazin-7-yl]ethanone;hydrochloride
CID 110174629

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine (CID 15586684) is 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1c2ccccc2C(c2cccc(Cl)c2)=Nc2cccnc21.
What is the InChIKey of 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is GEASQYOWLOGKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4/c1-27(2)14-7-15-28-21-12-4-3-10-19(21)22(17-8-5-9-18(24)16-17)26-20-11-6-13-25-23(20)28/h3-6,8-13,16H,7,14-15H2,1-2H3.
What are the key properties of 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine?
3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 390.92 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-chlorophenyl)pyrido[2,3-b][1,4]benzodiazepin-11-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 15586684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).