2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine

C24H17ClN4 — CID 143894393

IUPAC2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine
SMILESClc1ccc(Nc2nc3ccccc3nc2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H17ClN4/c25-17-12-14-18(15-13-17)26-23-24(29-22-10-4-3-9-21(22)28-23)27-20-11-5-7-16-6-1-2-8-19(16)20/h1-15H,(H,26,28)(H,27,29)
InChIKeyMQBXILGQOMIZDW-UHFFFAOYSA-N
MW396.88 g/mol
LogP6.92
Rot. Bonds4

About 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine

2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine (PubChem CID 143894393) has the molecular formula C24H17ClN4 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine
PubChem CID143894393
Molecular FormulaC24H17ClN4
Molecular Weight396.88 g/mol
Exact Mass396.11
IUPAC Name2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine
SMILESClc1ccc(Nc2nc3ccccc3nc2Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H17ClN4/c25-17-12-14-18(15-13-17)26-23-24(29-22-10-4-3-9-21(22)28-23)27-20-11-5-7-16-6-1-2-8-19(16)20/h1-15H,(H,26,28)(H,27,29)
InChIKeyMQBXILGQOMIZDW-UHFFFAOYSA-N
XLogP6.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 4764079
1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
CID 142741242
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
1-chloro-N-naphthalen-1-ylnaphthalen-2-amine
CID 155635365
4-[[3-[(4-chlorophenyl)sulfanylamino]quinoxalin-2-yl]amino]benzaldehyde
CID 145495864
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
3-N-(3-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]quinoxaline-2,3-diamine
CID 175722599
4-N-(4-chlorophenyl)-1-methylpyrazolo[4,5-c]quinoline-3,4-diamine
CID 146547575
N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 69417086
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine (CID 143894393) is 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine is Clc1ccc(Nc2nc3ccccc3nc2Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine?
The InChIKey is MQBXILGQOMIZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4/c25-17-12-14-18(15-13-17)26-23-24(29-22-10-4-3-9-21(22)28-23)27-20-11-5-7-16-6-1-2-8-19(16)20/h1-15H,(H,26,28)(H,27,29).
What are the key properties of 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine?
2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine has a molecular weight of 396.88 g/mol, XLogP of 6.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine is sourced from PubChem (CID 143894393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).