1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde

C15H17Cl2NO — CID 3754715

IUPAC1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde
SMILESCc1ccc2c(c1)C1(C)C(C(C)(C)N2C=O)C1(Cl)Cl
InChIInChI=1S/C15H17Cl2NO/c1-9-5-6-11-10(7-9)14(4)12(15(14,16)17)13(2,3)18(11)8-19/h5-8,12H,1-4H3
InChIKeySSDADYGJWYQFQE-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.81
Rot. Bonds1

About 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde

1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde (PubChem CID 3754715) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde
PubChem CID3754715
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde
SMILESCc1ccc2c(c1)C1(C)C(C(C)(C)N2C=O)C1(Cl)Cl
InChIInChI=1S/C15H17Cl2NO/c1-9-5-6-11-10(7-9)14(4)12(15(14,16)17)13(2,3)18(11)8-19/h5-8,12H,1-4H3
InChIKeySSDADYGJWYQFQE-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dichloro-2,2,7b-trimethyl-1aH-cyclopropa[c]quinolin-3-yl)ethanone
CID 3090974
1,1-dichloro-2,2,7b-trimethyl-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinoline-3-carbaldehyde
CID 3756373
Cambridge id 5102143
CID 2826981
1-[6-(2-Chloroethyl)-3,3-dimethyl-2,4-dihydroquinolin-1-yl]ethanone
CID 69558155
1-[6-(3-chloro-propyl)-4,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-ethanone
CID 69709445
3,3-Dichloro-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),7,9,12,14-pentaene-11-carbaldehyde
CID 88833708
3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 170151194
3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 170151195
6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 170151197
2-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 170151199
3,6-Ditert-butyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline
CID 176615631
(1aS,7bR)-3,6-ditert-butyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline
CID 176615632

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde?
The IUPAC name of 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde (CID 3754715) is 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde.
What is the SMILES notation for 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde?
The canonical SMILES for 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde is Cc1ccc2c(c1)C1(C)C(C(C)(C)N2C=O)C1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde?
The InChIKey is SSDADYGJWYQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-9-5-6-11-10(7-9)14(4)12(15(14,16)17)13(2,3)18(11)8-19/h5-8,12H,1-4H3.
What are the key properties of 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde?
1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde has a molecular weight of 298.21 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2,6,7b-tetramethyl-1aH-cyclopropa[c]quinoline-3-carbaldehyde is sourced from PubChem (CID 3754715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).