3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one

C24H28N4O3 — CID 156756726

IUPAC3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one
SMILESO=c1c2ccc(N3CCOCC3)cc2ncn1C[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H28N4O3/c29-21(15-26-8-7-18-3-1-2-4-19(18)14-26)16-28-17-25-23-13-20(5-6-22(23)24(28)30)27-9-11-31-12-10-27/h1-6,13,17,21,29H,7-12,14-16H2/t21-/m1/s1
InChIKeyJWGINTQRHJZVJU-OAQYLSRUSA-N
MW420.51 g/mol
LogP1.65
Rot. Bonds5

About 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one

3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one (PubChem CID 156756726) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one
PubChem CID156756726
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one
SMILESO=c1c2ccc(N3CCOCC3)cc2ncn1C[C@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H28N4O3/c29-21(15-26-8-7-18-3-1-2-4-19(18)14-26)16-28-17-25-23-13-20(5-6-22(23)24(28)30)27-9-11-31-12-10-27/h1-6,13,17,21,29H,7-12,14-16H2/t21-/m1/s1
InChIKeyJWGINTQRHJZVJU-OAQYLSRUSA-N
XLogP1.65
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one with MolForge

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Related Compounds

1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(5-morpholin-4-yl-2-pyridinyl)methyl]imidazolidin-2-one
CID 174234040
3-(2,2-difluoroethyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126897980
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 52538537
3-(2,2-difluoroethyl)-7-[4-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898052
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-hydroxy-4-methoxyisoquinolin-1-one
CID 156756716
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 47556817
2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3,4-dihydroisoquinolin-1-one
CID 164945226
3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid
CID 24844978
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524
3-(3-amino-2-hydroxypropyl)quinazolin-4-one
CID 43212309
4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine
CID 175767613

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one (CID 156756726) is 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one is O=c1c2ccc(N3CCOCC3)cc2ncn1C[C@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one?
The InChIKey is JWGINTQRHJZVJU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-21(15-26-8-7-18-3-1-2-4-19(18)14-26)16-28-17-25-23-13-20(5-6-22(23)24(28)30)27-9-11-31-12-10-27/h1-6,13,17,21,29H,7-12,14-16H2/t21-/m1/s1.
What are the key properties of 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one?
3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one has a molecular weight of 420.51 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 156756726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).