(9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione

C21H23N5O4 — CID 136896792

IUPAC(9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
SMILESO=C1C[C@H](c2ccco2)Cc2c1cnc1nc(NCCN3CCOCC3)[nH]c(=O)c21
InChIInChI=1S/C21H23N5O4/c27-16-11-13(17-2-1-7-30-17)10-14-15(16)12-23-19-18(14)20(28)25-21(24-19)22-3-4-26-5-8-29-9-6-26/h1-2,7,12-13H,3-6,8-11H2,(H2,22,23,24,25,28)/t13-/m1/s1
InChIKeyGWIZYTWTHXGKIF-CYBMUJFWSA-N
MW409.45 g/mol
LogP1.57
Rot. Bonds5

About (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione

(9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione (PubChem CID 136896792) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione.

Molecular Properties

Compound Name(9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
PubChem CID136896792
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name(9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
SMILESO=C1C[C@H](c2ccco2)Cc2c1cnc1nc(NCCN3CCOCC3)[nH]c(=O)c21
InChIInChI=1S/C21H23N5O4/c27-16-11-13(17-2-1-7-30-17)10-14-15(16)12-23-19-18(14)20(28)25-21(24-19)22-3-4-26-5-8-29-9-6-26/h1-2,7,12-13H,3-6,8-11H2,(H2,22,23,24,25,28)/t13-/m1/s1
InChIKeyGWIZYTWTHXGKIF-CYBMUJFWSA-N
XLogP1.57
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione with MolForge

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Launch Full Analysis

Related Compounds

(9S)-9-phenyl-3-(2-phenylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135881824
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
(7S)-7-(2-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 1491982
(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7332901
2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 5297233
[2-[[(7S)-7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]amino]-2-oxoethyl] morpholine-4-carbodithioate
CID 2022143
(7R)-7-(furan-2-yl)-2-[[(2R)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2042847
7-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 3162746
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 3234098
3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779611
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1155672
(7S)-4-methyl-7-(2-methylphenyl)-2-(2-morpholin-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 28628842

Frequently Asked Questions

What is the IUPAC name of (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione?
The IUPAC name of (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione (CID 136896792) is (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione.
What is the SMILES notation for (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione?
The canonical SMILES for (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione is O=C1C[C@H](c2ccco2)Cc2c1cnc1nc(NCCN3CCOCC3)[nH]c(=O)c21.
What is the InChIKey of (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione?
The InChIKey is GWIZYTWTHXGKIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23N5O4/c27-16-11-13(17-2-1-7-30-17)10-14-15(16)12-23-19-18(14)20(28)25-21(24-19)22-3-4-26-5-8-29-9-6-26/h1-2,7,12-13H,3-6,8-11H2,(H2,22,23,24,25,28)/t13-/m1/s1.
What are the key properties of (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione?
(9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione has a molecular weight of 409.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione is sourced from PubChem (CID 136896792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).