N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine

C18H16ClN3O — CID 108777137

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C18H16ClN3O/c1-11-18(22-16-5-3-2-4-15(16)20-11)21-14-8-9-23-17-7-6-12(19)10-13(14)17/h2-7,10,14H,8-9H2,1H3,(H,21,22)
InChIKeyJUSMODMQBUSTMJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.53
Rot. Bonds2

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine (PubChem CID 108777137) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine
PubChem CID108777137
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C18H16ClN3O/c1-11-18(22-16-5-3-2-4-15(16)20-11)21-14-8-9-23-17-7-6-12(19)10-13(14)17/h2-7,10,14H,8-9H2,1H3,(H,21,22)
InChIKeyJUSMODMQBUSTMJ-UHFFFAOYSA-N
XLogP4.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108777152
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774229
N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 12851989
N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine
CID 108774221
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108777132
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774312
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108774344
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine (CID 108777137) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NC1CCOc2ccc(Cl)cc21.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine?
The InChIKey is JUSMODMQBUSTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-11-18(22-16-5-3-2-4-15(16)20-11)21-14-8-9-23-17-7-6-12(19)10-13(14)17/h2-7,10,14H,8-9H2,1H3,(H,21,22).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine has a molecular weight of 325.80 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 108777137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).