1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol

C19H21NO2 — CID 23653179

IUPAC1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol
SMILESOc1ccc(C2Cc3ccc(O)cc3N(CC3CC3)C2)cc1
InChIInChI=1S/C19H21NO2/c21-17-6-3-14(4-7-17)16-9-15-5-8-18(22)10-19(15)20(12-16)11-13-1-2-13/h3-8,10,13,16,21-22H,1-2,9,11-12H2
InChIKeyPBOCTFMUGOZFAM-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.65
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol

1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol (PubChem CID 23653179) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol
PubChem CID23653179
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol
SMILESOc1ccc(C2Cc3ccc(O)cc3N(CC3CC3)C2)cc1
InChIInChI=1S/C19H21NO2/c21-17-6-3-14(4-7-17)16-9-15-5-8-18(22)10-19(15)20(12-16)11-13-1-2-13/h3-8,10,13,16,21-22H,1-2,9,11-12H2
InChIKeyPBOCTFMUGOZFAM-UHFFFAOYSA-N
XLogP3.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol?
The IUPAC name of 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol (CID 23653179) is 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol is Oc1ccc(C2Cc3ccc(O)cc3N(CC3CC3)C2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol?
The InChIKey is PBOCTFMUGOZFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-17-6-3-14(4-7-17)16-9-15-5-8-18(22)10-19(15)20(12-16)11-13-1-2-13/h3-8,10,13,16,21-22H,1-2,9,11-12H2.
What are the key properties of 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol?
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol has a molecular weight of 295.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-quinolin-7-ol is sourced from PubChem (CID 23653179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).