4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate

C24H27N3O2 — CID 51058349

IUPAC4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate
SMILESCN1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccccc23)CC1.O.O
InChIInChI=1S/C24H23N3.2H2O/c1-26-12-14-27(15-13-26)24-17-23(25-22-9-5-4-8-21(22)24)20-11-10-18-6-2-3-7-19(18)16-20;;/h2-11,16-17H,12-15H2,1H3;2*1H2
InChIKeyMRNRKHCRXHOOMP-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.16
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate

4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate (PubChem CID 51058349) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate
PubChem CID51058349
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate
SMILESCN1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccccc23)CC1.O.O
InChIInChI=1S/C24H23N3.2H2O/c1-26-12-14-27(15-13-26)24-17-23(25-22-9-5-4-8-21(22)24)20-11-10-18-6-2-3-7-19(18)16-20;;/h2-11,16-17H,12-15H2,1H3;2*1H2
InChIKeyMRNRKHCRXHOOMP-UHFFFAOYSA-N
XLogP3.16
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride
CID 42887250
2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 70459272
N-methyl-2-naphthalen-2-ylquinolin-4-amine
CID 142840384
4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11267128
1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
CID 10686671
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 153244283
6-methyl-2,4-dinaphthalen-2-ylquinoline
CID 164677204
8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 90462752

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate (CID 51058349) is 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate is CN1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccccc23)CC1.O.O.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate?
The InChIKey is MRNRKHCRXHOOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3.2H2O/c1-26-12-14-27(15-13-26)24-17-23(25-22-9-5-4-8-21(22)24)20-11-10-18-6-2-3-7-19(18)16-20;;/h2-11,16-17H,12-15H2,1H3;2*1H2.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate?
4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate has a molecular weight of 389.50 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate is sourced from PubChem (CID 51058349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).