N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine

C17H18N4 — CID 63760548

IUPACN-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine
SMILESCc1nc2ccccc2nc1NC(CN)c1ccccc1
InChIInChI=1S/C17H18N4/c1-12-17(20-15-10-6-5-9-14(15)19-12)21-16(11-18)13-7-3-2-4-8-13/h2-10,16H,11,18H2,1H3,(H,20,21)
InChIKeyQNVQVXCKGNBIPR-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.05
Rot. Bonds4

About N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine

N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine (PubChem CID 63760548) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine
PubChem CID63760548
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine
SMILESCc1nc2ccccc2nc1NC(CN)c1ccccc1
InChIInChI=1S/C17H18N4/c1-12-17(20-15-10-6-5-9-14(15)19-12)21-16(11-18)13-7-3-2-4-8-13/h2-10,16H,11,18H2,1H3,(H,20,21)
InChIKeyQNVQVXCKGNBIPR-UHFFFAOYSA-N
XLogP3.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine (CID 63760548) is N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine is Cc1nc2ccccc2nc1NC(CN)c1ccccc1.
What is the InChIKey of N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine?
The InChIKey is QNVQVXCKGNBIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-17(20-15-10-6-5-9-14(15)19-12)21-16(11-18)13-7-3-2-4-8-13/h2-10,16H,11,18H2,1H3,(H,20,21).
What are the key properties of N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine?
N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylquinoxalin-2-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63760548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).