(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C23H27Cl2N5O2 — CID 169003827

IUPAC(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C23H27Cl2N5O2/c24-19-11-17-3-6-30(14-18(17)12-20(19)25)23(31)16-1-4-28(5-2-16)21-13-22(27-15-26-21)29-7-9-32-10-8-29/h11-13,15-16H,1-10,14H2
InChIKeyZRGCFLBPLONHDS-UHFFFAOYSA-N
MW476.41 g/mol
LogP3.42
Rot. Bonds3

About (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 169003827) has the molecular formula C23H27Cl2N5O2 and a molecular weight of 476.41 g/mol. Its IUPAC name is (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID169003827
Molecular FormulaC23H27Cl2N5O2
Molecular Weight476.41 g/mol
Exact Mass475.15
IUPAC Name(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C23H27Cl2N5O2/c24-19-11-17-3-6-30(14-18(17)12-20(19)25)23(31)16-1-4-28(5-2-16)21-13-22(27-15-26-21)29-7-9-32-10-8-29/h11-13,15-16H,1-10,14H2
InChIKeyZRGCFLBPLONHDS-UHFFFAOYSA-N
XLogP3.42
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 169003821
(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003840
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170415
(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003833
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520409
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062
(6,7-dichloro-1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-[1-(6-pyrrol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 169003835
[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 56763260
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
cyclopentyl-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343339
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712640

Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 169003827) is (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCc2cc(Cl)c(Cl)cc2C1.
What is the InChIKey of (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is ZRGCFLBPLONHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N5O2/c24-19-11-17-3-6-30(14-18(17)12-20(19)25)23(31)16-1-4-28(5-2-16)21-13-22(27-15-26-21)29-7-9-32-10-8-29/h11-13,15-16H,1-10,14H2.
What are the key properties of (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 476.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 169003827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).