6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione

C15H19N3O3 — CID 117262520

IUPAC6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
SMILESCOc1ccc2c(c1)c(=O)n(CC1CCCN1)c(=O)n2C
InChIInChI=1S/C15H19N3O3/c1-17-13-6-5-11(21-2)8-12(13)14(19)18(15(17)20)9-10-4-3-7-16-10/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyIJXIXNKVVIRYAT-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.46
Rot. Bonds3

About 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione

6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione (PubChem CID 117262520) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
PubChem CID117262520
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
SMILESCOc1ccc2c(c1)c(=O)n(CC1CCCN1)c(=O)n2C
InChIInChI=1S/C15H19N3O3/c1-17-13-6-5-11(21-2)8-12(13)14(19)18(15(17)20)9-10-4-3-7-16-10/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyIJXIXNKVVIRYAT-UHFFFAOYSA-N
XLogP0.46
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435
1,8-dimethyl-3-(piperidin-2-ylmethyl)quinazoline-2,4-dione
CID 117263187
5-methoxy-1-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84794552
3-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10200588
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069
7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923350
1,6-dimethyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262568
6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one
CID 82151396
3-[(4-acetylcyclohexyl)methyl]-5-methoxy-1-methylbenzimidazol-2-one
CID 70819195
6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262573

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione?
The IUPAC name of 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione (CID 117262520) is 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione?
The canonical SMILES for 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione is COc1ccc2c(c1)c(=O)n(CC1CCCN1)c(=O)n2C.
What is the InChIKey of 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione?
The InChIKey is IJXIXNKVVIRYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-13-6-5-11(21-2)8-12(13)14(19)18(15(17)20)9-10-4-3-7-16-10/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione?
6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione is sourced from PubChem (CID 117262520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).