6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine

C16H23ClN4 — CID 139642343

IUPAC6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine
SMILESCC(C)CNc1nc2ccc(Cl)cc2nc1NCC(C)C
InChIInChI=1S/C16H23ClN4/c1-10(2)8-18-15-16(19-9-11(3)4)21-14-7-12(17)5-6-13(14)20-15/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyFTKXABDCQSENDW-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.42
Rot. Bonds6

About 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine

6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine (PubChem CID 139642343) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine
PubChem CID139642343
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine
SMILESCC(C)CNc1nc2ccc(Cl)cc2nc1NCC(C)C
InChIInChI=1S/C16H23ClN4/c1-10(2)8-18-15-16(19-9-11(3)4)21-14-7-12(17)5-6-13(14)20-15/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyFTKXABDCQSENDW-UHFFFAOYSA-N
XLogP4.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol
CID 58475819
6-chloro-2,5-dimethyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 63736491
2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
CID 101466553
4-N-(4-chloro-2-methylphenyl)-2-N-(2-methylpropyl)pteridine-2,4-diamine
CID 16911069
5-chloro-N-(2-propan-2-yloxypropyl)-1,3-benzoxazol-2-amine
CID 139309283
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
(7-chloro-3-methylquinoxalin-2-yl)methanamine
CID 117274858
2-bromo-8-chlorophenazine
CID 119028483
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
7-chloro-18-(2-methylpropylamino)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-11-one
CID 67846168
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine?
The IUPAC name of 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine (CID 139642343) is 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine?
The canonical SMILES for 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine is CC(C)CNc1nc2ccc(Cl)cc2nc1NCC(C)C.
What is the InChIKey of 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine?
The InChIKey is FTKXABDCQSENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-10(2)8-18-15-16(19-9-11(3)4)21-14-7-12(17)5-6-13(14)20-15/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine?
6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine has a molecular weight of 306.84 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 139642343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).