7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile

C29H25N3 — CID 102290398

IUPAC7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccc3ccccc3c2)c2c1-c1cccnc1CC2
InChIInChI=1S/C29H25N3/c30-19-26-28(32-15-4-1-5-16-32)18-25(22-11-10-20-7-2-3-8-21(20)17-22)23-12-13-27-24(29(23)26)9-6-14-31-27/h2-3,6-11,14,17-18H,1,4-5,12-13,15-16H2
InChIKeyHMBNMUMYSYKWMD-UHFFFAOYSA-N
MW415.54 g/mol
LogP6.53
Rot. Bonds2

About 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile

7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile (PubChem CID 102290398) has the molecular formula C29H25N3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile.

Molecular Properties

Compound Name7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile
PubChem CID102290398
Molecular FormulaC29H25N3
Molecular Weight415.54 g/mol
Exact Mass415.20
IUPAC Name7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccc3ccccc3c2)c2c1-c1cccnc1CC2
InChIInChI=1S/C29H25N3/c30-19-26-28(32-15-4-1-5-16-32)18-25(22-11-10-20-7-2-3-8-21(20)17-22)23-12-13-27-24(29(23)26)9-6-14-31-27/h2-3,6-11,14,17-18H,1,4-5,12-13,15-16H2
InChIKeyHMBNMUMYSYKWMD-UHFFFAOYSA-N
XLogP6.53
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile
CID 102382833
4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
CID 72697030
8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile
CID 11141783
3-hydroxy-1-phenanthren-2-yl-9,10-dihydrophenanthrene-4-carbonitrile
CID 101362889
1-piperidin-1-yl-3-pyridin-2-yl-9,10-dihydrophenanthrene-2-carbonitrile
CID 72697177
4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile
CID 102290405
4-(4-chlorophenyl)-3-methoxy-2-phenyl-6-piperidin-1-ylbenzonitrile
CID 11711116
4,5-dinaphthalen-2-ylbenzene-1,2-dicarbonitrile
CID 135379494
10-phenyl-5-piperidin-1-ylbenzo[h]quinoline
CID 102579281
2-fluoro-6-naphthalen-2-ylbenzonitrile
CID 114898467
2-amino-4-(4-bromophenyl)-6-pyrrolidin-1-ylbenzene-1,3-dicarbonitrile
CID 15503660
5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 21101302

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile?
The IUPAC name of 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile (CID 102290398) is 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile.
What is the SMILES notation for 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile?
The canonical SMILES for 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile is N#Cc1c(N2CCCCC2)cc(-c2ccc3ccccc3c2)c2c1-c1cccnc1CC2.
What is the InChIKey of 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile?
The InChIKey is HMBNMUMYSYKWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3/c30-19-26-28(32-15-4-1-5-16-32)18-25(22-11-10-20-7-2-3-8-21(20)17-22)23-12-13-27-24(29(23)26)9-6-14-31-27/h2-3,6-11,14,17-18H,1,4-5,12-13,15-16H2.
What are the key properties of 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile?
7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile has a molecular weight of 415.54 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile is sourced from PubChem (CID 102290398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).