14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C33H22N2 — CID 122435680

IUPAC14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc2c(c1)-c1ccccc1N(c1ccccc1-c1cccc3ncccc13)c1ccccc1-2
InChIInChI=1S/C33H22N2/c1-2-12-24-23(11-1)27-13-3-6-19-31(27)35(32-20-7-4-14-28(24)32)33-21-8-5-15-29(33)25-16-9-18-30-26(25)17-10-22-34-30/h1-22H
InChIKeyKNLPMIFAUXNTCR-UHFFFAOYSA-N
MW446.55 g/mol
LogP9.02
Rot. Bonds2

About 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 122435680) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID122435680
Molecular FormulaC33H22N2
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC Name14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc2c(c1)-c1ccccc1N(c1ccccc1-c1cccc3ncccc13)c1ccccc1-2
InChIInChI=1S/C33H22N2/c1-2-12-24-23(11-1)27-13-3-6-19-31(27)35(32-20-7-4-14-28(24)32)33-21-8-5-15-29(33)25-16-9-18-30-26(25)17-10-22-34-30/h1-22H
InChIKeyKNLPMIFAUXNTCR-UHFFFAOYSA-N
XLogP9.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene with MolForge

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Related Compounds

(2-quinolin-5-ylphenyl)methanol
CID 172649381
(2-quinolin-5-ylphenyl)methanamine
CID 81224360
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CID 167880208
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
CID 175088616
CID 175088616
cyclopenta[d][1]benzazepine
CID 90914140
5-pyrazolo[1,5-a]pyrimidin-3-ylquinoline
CID 175931882
25-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene
CID 137294888
4-indol-1-yl-8-quinolin-5-ylisoquinoline
CID 166707315
5-pyrrolidin-1-ylquinoline
CID 118731129
4-pyrimidin-2-ylquinoline
CID 123157198
N-phenyl-4-quinolin-5-ylaniline
CID 118462701

Frequently Asked Questions

What is the IUPAC name of 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 122435680) is 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is c1ccc2c(c1)-c1ccccc1N(c1ccccc1-c1cccc3ncccc13)c1ccccc1-2.
What is the InChIKey of 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is KNLPMIFAUXNTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-2-12-24-23(11-1)27-13-3-6-19-31(27)35(32-20-7-4-14-28(24)32)33-21-8-5-15-29(33)25-16-9-18-30-26(25)17-10-22-34-30/h1-22H.
What are the key properties of 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 446.55 g/mol, XLogP of 9.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-quinolin-5-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 122435680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).