6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine

C31H23FN2 — CID 90128053

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine
SMILESFc1ccccc1Nc1ccc2ccc3c(N4CCCc5ccccc54)ccc4ccc1c2c43
InChIInChI=1S/C31H23FN2/c32-25-8-2-3-9-27(25)33-26-17-13-21-12-16-24-29(18-14-22-11-15-23(26)30(21)31(22)24)34-19-5-7-20-6-1-4-10-28(20)34/h1-4,6,8-18,33H,5,7,19H2
InChIKeyROMKCCMPFXQDGP-UHFFFAOYSA-N
MW442.54 g/mol
LogP8.55
Rot. Bonds3

About 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine (PubChem CID 90128053) has the molecular formula C31H23FN2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine
PubChem CID90128053
Molecular FormulaC31H23FN2
Molecular Weight442.54 g/mol
Exact Mass442.18
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine
SMILESFc1ccccc1Nc1ccc2ccc3c(N4CCCc5ccccc54)ccc4ccc1c2c43
InChIInChI=1S/C31H23FN2/c32-25-8-2-3-9-27(25)33-26-17-13-21-12-16-24-29(18-14-22-11-15-23(26)30(21)31(22)24)34-19-5-7-20-6-1-4-10-28(20)34/h1-4,6,8-18,33H,5,7,19H2
InChIKeyROMKCCMPFXQDGP-UHFFFAOYSA-N
XLogP8.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyren-1-yl]-3,4-dihydro-2H-quinoline
CID 155364698
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112962871
4-[(1Z,3E)-4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]amino]-3-phenylbuta-1,3-dienyl]benzonitrile
CID 144777474
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-amine
CID 112927953
3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
CID 109197873
6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine
CID 90055282
[6-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluoro-2-pyridinyl]hydrazine
CID 114073397
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine
CID 43188883
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
6-(2,3-dihydroindol-1-yl)-N-(2-fluoro-4-naphthalen-2-ylphenyl)-N-phenylpyren-1-amine
CID 90054782
3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335577
4-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluorobenzoic acid
CID 63537981

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine (CID 90128053) is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine is Fc1ccccc1Nc1ccc2ccc3c(N4CCCc5ccccc54)ccc4ccc1c2c43.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine?
The InChIKey is ROMKCCMPFXQDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23FN2/c32-25-8-2-3-9-27(25)33-26-17-13-21-12-16-24-29(18-14-22-11-15-23(26)30(21)31(22)24)34-19-5-7-20-6-1-4-10-28(20)34/h1-4,6,8-18,33H,5,7,19H2.
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine?
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine has a molecular weight of 442.54 g/mol, XLogP of 8.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)pyren-1-amine is sourced from PubChem (CID 90128053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).