N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine

C23H19ClN4O — CID 123454613

IUPACN-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine
SMILESCc1cnc(NC(c2ccccc2Cl)c2ccc3cccnc3c2N=O)c(C)c1
InChIInChI=1S/C23H19ClN4O/c1-14-12-15(2)23(26-13-14)27-21(17-7-3-4-8-19(17)24)18-10-9-16-6-5-11-25-20(16)22(18)28-29/h3-13,21H,1-2H3,(H,26,27)
InChIKeyFHVAXNQEWTZCAR-UHFFFAOYSA-N
MW402.89 g/mol
LogP6.50
Rot. Bonds5

About N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine

N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine (PubChem CID 123454613) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine
PubChem CID123454613
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC NameN-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine
SMILESCc1cnc(NC(c2ccccc2Cl)c2ccc3cccnc3c2N=O)c(C)c1
InChIInChI=1S/C23H19ClN4O/c1-14-12-15(2)23(26-13-14)27-21(17-7-3-4-8-19(17)24)18-10-9-16-6-5-11-25-20(16)22(18)28-29/h3-13,21H,1-2H3,(H,26,27)
InChIKeyFHVAXNQEWTZCAR-UHFFFAOYSA-N
XLogP6.50
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium
CID 56834676
4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine
CID 56834762
4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,7-naphthyridin-7-ium-2-amine
CID 56834763
N2-(3-chlorophenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826932
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(quinolin-2-ylamino)ethyl]ethane-1,2-diamine
CID 144914289
2-[3-[3-(3-Chloro-4-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547165
2-[3-[3-(4-Chloro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547359
2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 729874
6-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3234019
3-chloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
CID 44272337
2-(2-chlorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]quinazolin-4-amine
CID 60167882
N-phenyl-1,10-phenanthrolin-2-amine
CID 132850503

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine (CID 123454613) is N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine is Cc1cnc(NC(c2ccccc2Cl)c2ccc3cccnc3c2N=O)c(C)c1.
What is the InChIKey of N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine?
The InChIKey is FHVAXNQEWTZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-14-12-15(2)23(26-13-14)27-21(17-7-3-4-8-19(17)24)18-10-9-16-6-5-11-25-20(16)22(18)28-29/h3-13,21H,1-2H3,(H,26,27).
What are the key properties of N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine?
N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine has a molecular weight of 402.89 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]-3,5-dimethylpyridin-2-amine is sourced from PubChem (CID 123454613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).