(5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C18H15ClN2O — CID 4975679

IUPAC(5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCc2ccccc2C1
InChIInChI=1S/C18H15ClN2O/c19-15-5-6-16-14(9-15)10-17(20-16)18(22)21-8-7-12-3-1-2-4-13(12)11-21/h1-6,9-10,20H,7-8,11H2
InChIKeyUJNRTIQEQOJPAZ-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.02
Rot. Bonds1

About (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 4975679) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID4975679
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name(5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCc2ccccc2C1
InChIInChI=1S/C18H15ClN2O/c19-15-5-6-16-14(9-15)10-17(20-16)18(22)21-8-7-12-3-1-2-4-13(12)11-21/h1-6,9-10,20H,7-8,11H2
InChIKeyUJNRTIQEQOJPAZ-UHFFFAOYSA-N
XLogP4.02
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 4975679) is (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCc2ccccc2C1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is UJNRTIQEQOJPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-15-5-6-16-14(9-15)10-17(20-16)18(22)21-8-7-12-3-1-2-4-13(12)11-21/h1-6,9-10,20H,7-8,11H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 310.78 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 4975679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).