N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine

C17H16ClN3 — CID 63120842

IUPACN'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
SMILESNC(CNc1ccnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C17H16ClN3/c18-13-6-7-14-16(8-9-20-17(14)10-13)21-11-15(19)12-4-2-1-3-5-12/h1-10,15H,11,19H2,(H,20,21)
InChIKeyJZTMNXXPAPSEAR-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.00
Rot. Bonds4

About N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine

N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine (PubChem CID 63120842) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
PubChem CID63120842
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC NameN'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
SMILESNC(CNc1ccnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C17H16ClN3/c18-13-6-7-14-16(8-9-20-17(14)10-13)21-11-15(19)12-4-2-1-3-5-12/h1-10,15H,11,19H2,(H,20,21)
InChIKeyJZTMNXXPAPSEAR-UHFFFAOYSA-N
XLogP4.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine (CID 63120842) is N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine is NC(CNc1ccnc2cc(Cl)ccc12)c1ccccc1.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine?
The InChIKey is JZTMNXXPAPSEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-13-6-7-14-16(8-9-20-17(14)10-13)21-11-15(19)12-4-2-1-3-5-12/h1-10,15H,11,19H2,(H,20,21).
What are the key properties of N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine?
N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine has a molecular weight of 297.79 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63120842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).