(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone

C17H17Cl2N3O — CID 119051317

IUPAC(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
SMILESO=C(c1cn2c(n1)CCCC2)N1CCc2c(Cl)cc(Cl)cc2C1
InChIInChI=1S/C17H17Cl2N3O/c18-12-7-11-9-22(6-4-13(11)14(19)8-12)17(23)15-10-21-5-2-1-3-16(21)20-15/h7-8,10H,1-6,9H2
InChIKeyMKQYJTJEPASLTP-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.72
Rot. Bonds1

About (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone

(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 119051317) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID119051317
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
SMILESO=C(c1cn2c(n1)CCCC2)N1CCc2c(Cl)cc(Cl)cc2C1
InChIInChI=1S/C17H17Cl2N3O/c18-12-7-11-9-22(6-4-13(11)14(19)8-12)17(23)15-10-21-5-2-1-3-16(21)20-15/h7-8,10H,1-6,9H2
InChIKeyMKQYJTJEPASLTP-UHFFFAOYSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
CID 119051320
(4-butylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
CID 71838038
pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 155915231
1-[3-(5,7-dichloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166411232
ethane;N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 145225752
(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120639244
N-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838084
lithium;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylic acid;hydride
CID 174674138
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 120637679
5,7-dichloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157202
2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457058
1-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methyl-3-pyridinyl)propan-1-one
CID 126803957

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone (CID 119051317) is (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone is O=C(c1cn2c(n1)CCCC2)N1CCc2c(Cl)cc(Cl)cc2C1.
What is the InChIKey of (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is MKQYJTJEPASLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-12-7-11-9-22(6-4-13(11)14(19)8-12)17(23)15-10-21-5-2-1-3-16(21)20-15/h7-8,10H,1-6,9H2.
What are the key properties of (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone?
(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 350.25 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 119051317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).