CID 70870191

C13H15BClN2 — CID 70870191

IUPAC—
SMILESC[B]CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15BClN2/c1-14-6-2-7-16-12-5-8-17-13-9-10(15)3-4-11(12)13/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)
InChIKeyONNAYKCCKHWSDO-UHFFFAOYSA-N
MW245.54 g/mol
LogP3.86
Rot. Bonds5

About CID 70870191

CID 70870191 (PubChem CID 70870191) has the molecular formula C13H15BClN2 and a molecular weight of 245.54 g/mol.

Molecular Properties

Compound NameCID 70870191
PubChem CID70870191
Molecular FormulaC13H15BClN2
Molecular Weight245.54 g/mol
Exact Mass245.10
IUPAC Name—
SMILESC[B]CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H15BClN2/c1-14-6-2-7-16-12-5-8-17-13-9-10(15)3-4-11(12)13/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)
InChIKeyONNAYKCCKHWSDO-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
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N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
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N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
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N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
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N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989

Frequently Asked Questions

What is the IUPAC name of CID 70870191?
The IUPAC name of CID 70870191 (CID 70870191) is not available.
What is the SMILES notation for CID 70870191?
The canonical SMILES for CID 70870191 is C[B]CCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of CID 70870191?
The InChIKey is ONNAYKCCKHWSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BClN2/c1-14-6-2-7-16-12-5-8-17-13-9-10(15)3-4-11(12)13/h3-5,8-9H,2,6-7H2,1H3,(H,16,17).
What are the key properties of CID 70870191?
CID 70870191 has a molecular weight of 245.54 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70870191 is sourced from PubChem (CID 70870191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).