[4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride

C22H19ClN4O2 — CID 22417962

IUPAC[4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride
SMILESCOc1cccc(Nc2cc(C)nc3ccc(C(=O)c4cnccn4)cc23)c1.Cl
InChIInChI=1S/C22H18N4O2.ClH/c1-14-10-20(26-16-4-3-5-17(12-16)28-2)18-11-15(6-7-19(18)25-14)22(27)21-13-23-8-9-24-21;/h3-13H,1-2H3,(H,25,26);1H
InChIKeyPOMZCFWXNXZMOH-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.74
Rot. Bonds5

About [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride

[4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride (PubChem CID 22417962) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride
PubChem CID22417962
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name[4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride
SMILESCOc1cccc(Nc2cc(C)nc3ccc(C(=O)c4cnccn4)cc23)c1.Cl
InChIInChI=1S/C22H18N4O2.ClH/c1-14-10-20(26-16-4-3-5-17(12-16)28-2)18-11-15(6-7-19(18)25-14)22(27)21-13-23-8-9-24-21;/h3-13H,1-2H3,(H,25,26);1H
InChIKeyPOMZCFWXNXZMOH-UHFFFAOYSA-N
XLogP4.74
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
4-(3-methoxyanilino)-2-methylquinolin-7-ol;hydrochloride
CID 135802999
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
CID 18590567
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride (CID 22417962) is [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride is COc1cccc(Nc2cc(C)nc3ccc(C(=O)c4cnccn4)cc23)c1.Cl.
What is the InChIKey of [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride?
The InChIKey is POMZCFWXNXZMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2.ClH/c1-14-10-20(26-16-4-3-5-17(12-16)28-2)18-11-15(6-7-19(18)25-14)22(27)21-13-23-8-9-24-21;/h3-13H,1-2H3,(H,25,26);1H.
What are the key properties of [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride?
[4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride has a molecular weight of 406.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 22417962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).