2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one

C19H17N3O4 — CID 136593458

IUPAC2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc4[nH]cc(CO)c4c3)nc2c1
InChIInChI=1S/C19H17N3O4/c1-25-12-6-15-17(16(7-12)26-2)19(24)22-18(21-15)10-3-4-14-13(5-10)11(9-23)8-20-14/h3-8,20,23H,9H2,1-2H3,(H,21,22,24)
InChIKeyQFYFMUDGIQVNQA-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.58
Rot. Bonds4

About 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one

2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 136593458) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one
PubChem CID136593458
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc4[nH]cc(CO)c4c3)nc2c1
InChIInChI=1S/C19H17N3O4/c1-25-12-6-15-17(16(7-12)26-2)19(24)22-18(21-15)10-3-4-14-13(5-10)11(9-23)8-20-14/h3-8,20,23H,9H2,1-2H3,(H,21,22,24)
InChIKeyQFYFMUDGIQVNQA-UHFFFAOYSA-N
XLogP2.58
TPSA100.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethoxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 166629023
2-[4-(2-ethoxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 166705083
3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]propane-1-sulfonic acid
CID 136501064
3-[2-[2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]ethoxy]ethoxy]propanoic acid
CID 164785230
3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide
CID 136611317
2-[4-(2-anilinoethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 136642583
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethoxyphenoxy]ethyl N-(4-fluorophenyl)carbamate
CID 142764227
3-[2-[2-[2-[2-[2-[2-[3-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-5-methylphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 156823805
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one;N'-hydroxy-N-phenyloctanediamide
CID 176514908
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
5,7-dimethoxy-2-[3-(4-methoxysulfanylphenyl)-4-[2-(propan-2-ylamino)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137197751
2-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]phenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 135939108

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one (CID 136593458) is 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one is COc1cc(OC)c2c(=O)[nH]c(-c3ccc4[nH]cc(CO)c4c3)nc2c1.
What is the InChIKey of 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is QFYFMUDGIQVNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-12-6-15-17(16(7-12)26-2)19(24)22-18(21-15)10-3-4-14-13(5-10)11(9-23)8-20-14/h3-8,20,23H,9H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one?
2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 351.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-1H-indol-5-yl]-5,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136593458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).