(4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol

C19H19N3O3 — CID 51643283

IUPAC(4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1ncnc3ccccc13)C[C@H]2O
InChIInChI=1S/C19H19N3O3/c1-24-16-7-8-17(25-2)18-13(16)9-22(10-15(18)23)19-12-5-3-4-6-14(12)20-11-21-19/h3-8,11,15,23H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyHBEUZBIIUNVPRQ-OAHLLOKOSA-N
MW337.38 g/mol
LogP2.70
Rot. Bonds3

About (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol

(4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 51643283) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name(4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID51643283
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc(OC)c2c1CN(c1ncnc3ccccc13)C[C@H]2O
InChIInChI=1S/C19H19N3O3/c1-24-16-7-8-17(25-2)18-13(16)9-22(10-15(18)23)19-12-5-3-4-6-14(12)20-11-21-19/h3-8,11,15,23H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyHBEUZBIIUNVPRQ-OAHLLOKOSA-N
XLogP2.70
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol
CID 24508481
5,8-dimethoxy-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 133408028
(4R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 31539569
5,8-dimethoxy-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 18095922
2-(benzimidazol-1-ylmethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 56812469
(4R)-5,8-dimethoxy-2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 95573528
(4R)-2-(2-cyclopropylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 99077008
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
2-[2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-quinazolin-4-one
CID 136577881
(4R)-2-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 99773998
4-(1,3-dihydroisoindol-2-yl)-6-methoxyquinazolin-7-ol
CID 143413846
2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 56807665

Frequently Asked Questions

What is the IUPAC name of (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol (CID 51643283) is (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc(OC)c2c1CN(c1ncnc3ccccc13)C[C@H]2O.
What is the InChIKey of (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is HBEUZBIIUNVPRQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-7-8-17(25-2)18-13(16)9-22(10-15(18)23)19-12-5-3-4-6-14(12)20-11-21-19/h3-8,11,15,23H,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol?
(4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 337.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,8-dimethoxy-2-quinazolin-4-yl-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 51643283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).