1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione

C19H25N3O5 — CID 11372277

IUPAC1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione
SMILESCOc1c(N2CCC(C(O)CO)CC2)ccc2c(=O)[nH]c(=O)n(C3CC3)c12
InChIInChI=1S/C19H25N3O5/c1-27-17-14(21-8-6-11(7-9-21)15(24)10-23)5-4-13-16(17)22(12-2-3-12)19(26)20-18(13)25/h4-5,11-12,15,23-24H,2-3,6-10H2,1H3,(H,20,25,26)
InChIKeyNGYMTSRZTVQFMA-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.60
Rot. Bonds5

About 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione

1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione (PubChem CID 11372277) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione
PubChem CID11372277
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione
SMILESCOc1c(N2CCC(C(O)CO)CC2)ccc2c(=O)[nH]c(=O)n(C3CC3)c12
InChIInChI=1S/C19H25N3O5/c1-27-17-14(21-8-6-11(7-9-21)15(24)10-23)5-4-13-16(17)22(12-2-3-12)19(26)20-18(13)25/h4-5,11-12,15,23-24H,2-3,6-10H2,1H3,(H,20,25,26)
InChIKeyNGYMTSRZTVQFMA-UHFFFAOYSA-N
XLogP0.60
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione?
The IUPAC name of 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione (CID 11372277) is 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione?
The canonical SMILES for 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione is COc1c(N2CCC(C(O)CO)CC2)ccc2c(=O)[nH]c(=O)n(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione?
The InChIKey is NGYMTSRZTVQFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-27-17-14(21-8-6-11(7-9-21)15(24)10-23)5-4-13-16(17)22(12-2-3-12)19(26)20-18(13)25/h4-5,11-12,15,23-24H,2-3,6-10H2,1H3,(H,20,25,26).
What are the key properties of 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione?
1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione is sourced from PubChem (CID 11372277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).