2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde

C17H17NO — CID 155419700

IUPAC2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde
SMILESO=CC1CC2(C1)CC(c1ccnc3ccccc13)C2
InChIInChI=1S/C17H17NO/c19-11-12-7-17(8-12)9-13(10-17)14-5-6-18-16-4-2-1-3-15(14)16/h1-6,11-13H,7-10H2
InChIKeyPOWHPNFUCHBMBM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.71
Rot. Bonds2

About 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde

2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde (PubChem CID 155419700) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde.

Molecular Properties

Compound Name2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde
PubChem CID155419700
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde
SMILESO=CC1CC2(C1)CC(c1ccnc3ccccc13)C2
InChIInChI=1S/C17H17NO/c19-11-12-7-17(8-12)9-13(10-17)14-5-6-18-16-4-2-1-3-15(14)16/h1-6,11-13H,7-10H2
InChIKeyPOWHPNFUCHBMBM-UHFFFAOYSA-N
XLogP3.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentylquinoline
CID 57273226
(NZ)-N-[2-(4-chlorophenyl)-1-(6-quinolin-4-yl-2-azaspiro[3.3]heptan-2-yl)ethylidene]hydroxylamine
CID 156622336
1-quinolin-4-ylpiperidine-4-carbaldehyde
CID 62663267
3-quinolin-4-yloxirane-2-carboxamide
CID 23186110
ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide
CID 142355386
4-quinolin-4-ylazetidin-2-one
CID 55255536
4-chloro-N-(7-quinolin-4-ylspiro[3.5]nonan-2-yl)benzamide
CID 142578317
4-(3,3-difluorooxan-4-yl)quinoline
CID 154031569
(2S)-N-pyridin-2-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
CID 155011627
3-methylidene-5-quinolin-4-yloxolan-2-one
CID 127052681
N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide
CID 139302691
4-quinolin-5-ylcyclohexan-1-one
CID 83261338

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde?
The IUPAC name of 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde (CID 155419700) is 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde.
What is the SMILES notation for 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde?
The canonical SMILES for 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde is O=CC1CC2(C1)CC(c1ccnc3ccccc13)C2.
What is the InChIKey of 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde?
The InChIKey is POWHPNFUCHBMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-11-12-7-17(8-12)9-13(10-17)14-5-6-18-16-4-2-1-3-15(14)16/h1-6,11-13H,7-10H2.
What are the key properties of 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde?
2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde has a molecular weight of 251.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde is sourced from PubChem (CID 155419700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).