N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine

C17H16ClN2+ — CID 6927112

IUPACN-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine
SMILESCc1cc(NCc2ccccc2)c2ccc(Cl)cc2[nH+]1
InChIInChI=1S/C17H15ClN2/c1-12-9-16(19-11-13-5-3-2-4-6-13)15-8-7-14(18)10-17(15)20-12/h2-10H,11H2,1H3,(H,19,20)/p+1
InChIKeyFUWOLWRCCQQNAX-UHFFFAOYSA-O
MW283.78 g/mol
LogP4.23
Rot. Bonds3

About N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine

N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine (PubChem CID 6927112) has the molecular formula C17H16ClN2+ and a molecular weight of 283.78 g/mol. Its IUPAC name is N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine.

Molecular Properties

Compound NameN-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine
PubChem CID6927112
Molecular FormulaC17H16ClN2+
Molecular Weight283.78 g/mol
Exact Mass283.10
IUPAC NameN-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine
SMILESCc1cc(NCc2ccccc2)c2ccc(Cl)cc2[nH+]1
InChIInChI=1S/C17H15ClN2/c1-12-9-16(19-11-13-5-3-2-4-6-13)15-8-7-14(18)10-17(15)20-12/h2-10H,11H2,1H3,(H,19,20)/p+1
InChIKeyFUWOLWRCCQQNAX-UHFFFAOYSA-O
XLogP4.23
TPSA26.17 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-chloro-2-iodoaniline
CID 71507320
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CID 43681577
N-benzyl-4-(benzylamino)-7-chloroquinoline-2-carboxamide
CID 1047229
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745
6-chloro-2-methyl-4-phenylquinolin-1-ium
CID 4742936
5-chloro-2-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798723
N-benzyl-5-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 43231355
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 719910
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CID 2245086

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine?
The IUPAC name of N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine (CID 6927112) is N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine.
What is the SMILES notation for N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine?
The canonical SMILES for N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine is Cc1cc(NCc2ccccc2)c2ccc(Cl)cc2[nH+]1.
What is the InChIKey of N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine?
The InChIKey is FUWOLWRCCQQNAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H15ClN2/c1-12-9-16(19-11-13-5-3-2-4-6-13)15-8-7-14(18)10-17(15)20-12/h2-10H,11H2,1H3,(H,19,20)/p+1.
What are the key properties of N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine?
N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine has a molecular weight of 283.78 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-chloro-2-methylquinolin-1-ium-4-amine is sourced from PubChem (CID 6927112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).