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

C14H17N3O3 — CID 117262552

IUPAC6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CC3CCNC3)c(=O)c2c1
InChIInChI=1S/C14H17N3O3/c1-20-10-2-3-12-11(6-10)13(18)17(14(19)16-12)8-9-4-5-15-7-9/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyRLFKKJIDHUPJET-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.31
Rot. Bonds3

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

6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione (PubChem CID 117262552) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
PubChem CID117262552
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CC3CCNC3)c(=O)c2c1
InChIInChI=1S/C14H17N3O3/c1-20-10-2-3-12-11(6-10)13(18)17(14(19)16-12)8-9-4-5-15-7-9/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyRLFKKJIDHUPJET-UHFFFAOYSA-N
XLogP0.31
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
3-(pyrrolidin-3-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262875
7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262886
3-[[4-[(3S)-4-(cyclopropanecarbonyl)-3-methylpiperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione
CID 51352947
3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione
CID 117261447
5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262188
6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione
CID 118869707
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
3-[(1,1-dioxothian-4-yl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207139
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione (CID 117262552) is 6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione is COc1ccc2[nH]c(=O)n(CC3CCNC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
The InChIKey is RLFKKJIDHUPJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-10-2-3-12-11(6-10)13(18)17(14(19)16-12)8-9-4-5-15-7-9/h2-3,6,9,15H,4-5,7-8H2,1H3,(H,16,19).
What are the key properties of 6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione?
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).