3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline

C14H17NO — CID 126536454

IUPAC3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline
SMILESCOC1=C(C2CC2)CNc2ccc(C)cc21
InChIInChI=1S/C14H17NO/c1-9-3-6-13-11(7-9)14(16-2)12(8-15-13)10-4-5-10/h3,6-7,10,15H,4-5,8H2,1-2H3
InChIKeyJQERNASDRULGRP-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.19
Rot. Bonds2

About 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline

3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline (PubChem CID 126536454) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline.

Molecular Properties

Compound Name3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline
PubChem CID126536454
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline
SMILESCOC1=C(C2CC2)CNc2ccc(C)cc21
InChIInChI=1S/C14H17NO/c1-9-3-6-13-11(7-9)14(16-2)12(8-15-13)10-4-5-10/h3,6-7,10,15H,4-5,8H2,1-2H3
InChIKeyJQERNASDRULGRP-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline?
The IUPAC name of 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline (CID 126536454) is 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline.
What is the SMILES notation for 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline?
The canonical SMILES for 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline is COC1=C(C2CC2)CNc2ccc(C)cc21.
What is the InChIKey of 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline?
The InChIKey is JQERNASDRULGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-3-6-13-11(7-9)14(16-2)12(8-15-13)10-4-5-10/h3,6-7,10,15H,4-5,8H2,1-2H3.
What are the key properties of 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline?
3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline has a molecular weight of 215.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methoxy-6-methyl-1,2-dihydroquinoline is sourced from PubChem (CID 126536454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).