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

C15H19N3O3 — CID 117262554

IUPAC6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
SMILESCOc1ccc2c(c1)c(=O)n(CC1CCNC1)c(=O)n2C
InChIInChI=1S/C15H19N3O3/c1-17-13-4-3-11(21-2)7-12(13)14(19)18(15(17)20)9-10-5-6-16-8-10/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyDOYONJBQKTYDOL-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.32
Rot. Bonds3

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

6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione (PubChem CID 117262554) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
PubChem CID117262554
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
SMILESCOc1ccc2c(c1)c(=O)n(CC1CCNC1)c(=O)n2C
InChIInChI=1S/C15H19N3O3/c1-17-13-4-3-11(21-2)7-12(13)14(19)18(15(17)20)9-10-5-6-16-8-10/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyDOYONJBQKTYDOL-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-1-methyl-3-(pyrrolidin-2-ylmethyl)quinazoline-2,4-dione
CID 117262520
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819
3-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10200588
3-[(4-acetylcyclohexyl)methyl]-5-methoxy-1-methylbenzimidazol-2-one
CID 70819195
7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923350
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806155
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione?
The IUPAC name of 6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione (CID 117262554) is 6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione?
The canonical SMILES for 6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione is COc1ccc2c(c1)c(=O)n(CC1CCNC1)c(=O)n2C.
What is the InChIKey of 6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione?
The InChIKey is DOYONJBQKTYDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-13-4-3-11(21-2)7-12(13)14(19)18(15(17)20)9-10-5-6-16-8-10/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione?
6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 0.32, 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-3-ylmethyl)quinazoline-2,4-dione is sourced from PubChem (CID 117262554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).