1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde

C20H16N2O — CID 102088805

IUPAC1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=C(Nc2cccc3ncccc23)c2ccccc2CC1
InChIInChI=1S/C20H16N2O/c23-13-15-11-10-14-5-1-2-6-16(14)20(15)22-19-9-3-8-18-17(19)7-4-12-21-18/h1-9,12-13,22H,10-11H2
InChIKeyKXVDUIZNTZDSJT-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.20
Rot. Bonds3

About 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde

1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 102088805) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID102088805
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=C(Nc2cccc3ncccc23)c2ccccc2CC1
InChIInChI=1S/C20H16N2O/c23-13-15-11-10-14-5-1-2-6-16(14)20(15)22-19-9-3-8-18-17(19)7-4-12-21-18/h1-9,12-13,22H,10-11H2
InChIKeyKXVDUIZNTZDSJT-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-ylquinolin-5-amine
CID 163837098
6-(quinolin-5-ylamino)pyridine-2-carboxylic acid
CID 62253213
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinolin-5-amine
CID 43759315
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
CID 80548139
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
6-(quinolin-5-ylamino)pyrazine-2-carboxylic acid
CID 66456935
5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
CID 22537644
quinoline-5-carbaldehyde;hydrochloride
CID 174461977
3-(quinolin-5-ylamino)pyridine-4-carboxylic acid
CID 105062537
N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866
3-methyl-2-phenyl-N'-quinolin-5-ylbutanehydrazide
CID 11955683

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde (CID 102088805) is 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde is O=CC1=C(Nc2cccc3ncccc23)c2ccccc2CC1.
What is the InChIKey of 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is KXVDUIZNTZDSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c23-13-15-11-10-14-5-1-2-6-16(14)20(15)22-19-9-3-8-18-17(19)7-4-12-21-18/h1-9,12-13,22H,10-11H2.
What are the key properties of 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde?
1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 300.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-5-ylamino)-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 102088805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).