(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone

C26H27FN4O4 — CID 11547457

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cnc(N3CCOCC3)nc1-c1ccccc1F)CC2
InChIInChI=1S/C26H27FN4O4/c1-33-22-13-17-7-8-31(16-18(17)14-23(22)34-2)25(32)20-15-28-26(30-9-11-35-12-10-30)29-24(20)19-5-3-4-6-21(19)27/h3-6,13-15H,7-12,16H2,1-2H3
InChIKeyNLKOSBSWYAKYJR-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.34
Rot. Bonds5

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone (PubChem CID 11547457) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone
PubChem CID11547457
Molecular FormulaC26H27FN4O4
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cnc(N3CCOCC3)nc1-c1ccccc1F)CC2
InChIInChI=1S/C26H27FN4O4/c1-33-22-13-17-7-8-31(16-18(17)14-23(22)34-2)25(32)20-15-28-26(30-9-11-35-12-10-30)29-24(20)19-5-3-4-6-21(19)27/h3-6,13-15H,7-12,16H2,1-2H3
InChIKeyNLKOSBSWYAKYJR-UHFFFAOYSA-N
XLogP3.34
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421229
[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 59421280
[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 58674751
N-cyclopropyl-4-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 11648323
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 27515240
4-(2-fluorophenyl)-2-morpholin-4-yl-N-(2-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 59421325
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 159670575
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421141
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 38446595
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-methoxyphenyl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 54174725

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone (CID 11547457) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone is COc1cc2c(cc1OC)CN(C(=O)c1cnc(N3CCOCC3)nc1-c1ccccc1F)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone?
The InChIKey is NLKOSBSWYAKYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c1-33-22-13-17-7-8-31(16-18(17)14-23(22)34-2)25(32)20-15-28-26(30-9-11-35-12-10-30)29-24(20)19-5-3-4-6-21(19)27/h3-6,13-15H,7-12,16H2,1-2H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone has a molecular weight of 478.52 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]methanone is sourced from PubChem (CID 11547457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).