2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine

C27H22N2 — CID 174538242

IUPAC2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine
SMILESNc1ccc2nc(-c3ccc4c(ccc5c6c(ccc54)CCCC6)c3)ccc2c1
InChIInChI=1S/C27H22N2/c28-21-9-14-27-20(16-21)8-13-26(29-27)19-7-10-23-18(15-19)6-12-24-22-4-2-1-3-17(22)5-11-25(23)24/h5-16H,1-4,28H2
InChIKeyMCONMJGFXUWLSR-UHFFFAOYSA-N
MW374.49 g/mol
LogP6.67
Rot. Bonds1

About 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine

2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine (PubChem CID 174538242) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine.

Molecular Properties

Compound Name2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine
PubChem CID174538242
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine
SMILESNc1ccc2nc(-c3ccc4c(ccc5c6c(ccc54)CCCC6)c3)ccc2c1
InChIInChI=1S/C27H22N2/c28-21-9-14-27-20(16-21)8-13-26(29-27)19-7-10-23-18(15-19)6-12-24-22-4-2-1-3-17(22)5-11-25(23)24/h5-16H,1-4,28H2
InChIKeyMCONMJGFXUWLSR-UHFFFAOYSA-N
XLogP6.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-7-amine
CID 174524521
7,8,9,10-tetrahydrochrysen-2-amine
CID 174397355
acridine;7,8,9,10-tetrahydrochrysen-3-amine
CID 175372875
2-(4-amino-3-methylphenyl)quinolin-6-amine
CID 121321855
4-(4-aminophenyl)benzene-1,3-diamine;1,2,3,4-tetrahydrochrysene
CID 174472851
8-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174866199
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline
CID 57154920
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578

Frequently Asked Questions

What is the IUPAC name of 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine?
The IUPAC name of 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine (CID 174538242) is 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine.
What is the SMILES notation for 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine?
The canonical SMILES for 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine is Nc1ccc2nc(-c3ccc4c(ccc5c6c(ccc54)CCCC6)c3)ccc2c1.
What is the InChIKey of 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine?
The InChIKey is MCONMJGFXUWLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c28-21-9-14-27-20(16-21)8-13-26(29-27)19-7-10-23-18(15-19)6-12-24-22-4-2-1-3-17(22)5-11-25(23)24/h5-16H,1-4,28H2.
What are the key properties of 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine?
2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine has a molecular weight of 374.49 g/mol, XLogP of 6.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8,9,10-tetrahydrochrysen-2-yl)quinolin-6-amine is sourced from PubChem (CID 174538242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).