3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione

C19H26N4O5 — CID 11372720

IUPAC3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione
SMILESCOc1c(N2CCCC(C(O)CO)C2)ccc2c(=O)n(N)c(=O)n(C3CC3)c12
InChIInChI=1S/C19H26N4O5/c1-28-17-14(21-8-2-3-11(9-21)15(25)10-24)7-6-13-16(17)22(12-4-5-12)19(27)23(20)18(13)26/h6-7,11-12,15,24-25H,2-5,8-10,20H2,1H3
InChIKeyUZGPUEUNRYGSKN-UHFFFAOYSA-N
MW390.44 g/mol
LogP-0.21
Rot. Bonds5

About 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione

3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione (PubChem CID 11372720) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione
PubChem CID11372720
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione
SMILESCOc1c(N2CCCC(C(O)CO)C2)ccc2c(=O)n(N)c(=O)n(C3CC3)c12
InChIInChI=1S/C19H26N4O5/c1-28-17-14(21-8-2-3-11(9-21)15(25)10-24)7-6-13-16(17)22(12-4-5-12)19(27)23(20)18(13)26/h6-7,11-12,15,24-25H,2-5,8-10,20H2,1H3
InChIKeyUZGPUEUNRYGSKN-UHFFFAOYSA-N
XLogP-0.21
TPSA122.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione?
The IUPAC name of 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione (CID 11372720) is 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione.
What is the SMILES notation for 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione?
The canonical SMILES for 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione is COc1c(N2CCCC(C(O)CO)C2)ccc2c(=O)n(N)c(=O)n(C3CC3)c12.
What is the InChIKey of 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione?
The InChIKey is UZGPUEUNRYGSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-28-17-14(21-8-2-3-11(9-21)15(25)10-24)7-6-13-16(17)22(12-4-5-12)19(27)23(20)18(13)26/h6-7,11-12,15,24-25H,2-5,8-10,20H2,1H3.
What are the key properties of 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione?
3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione has a molecular weight of 390.44 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxyquinazoline-2,4-dione is sourced from PubChem (CID 11372720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).