2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide

C19H25N3O4 — CID 3241299

IUPAC2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide
SMILESCCCCCNC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C19H25N3O4/c1-2-3-4-9-20-17(23)13-7-8-15-16(11-13)21-19(25)22(18(15)24)12-14-6-5-10-26-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,20,23)(H,21,25)
InChIKeyRENFDUMNIKCHGX-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.79
Rot. Bonds7

About 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide

2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide (PubChem CID 3241299) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide
PubChem CID3241299
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide
SMILESCCCCCNC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C19H25N3O4/c1-2-3-4-9-20-17(23)13-7-8-15-16(11-13)21-19(25)22(18(15)24)12-14-6-5-10-26-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,20,23)(H,21,25)
InChIKeyRENFDUMNIKCHGX-UHFFFAOYSA-N
XLogP1.79
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide?
The IUPAC name of 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide (CID 3241299) is 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide is CCCCCNC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide?
The InChIKey is RENFDUMNIKCHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-3-4-9-20-17(23)13-7-8-15-16(11-13)21-19(25)22(18(15)24)12-14-6-5-10-26-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide?
2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-(oxolan-2-ylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 3241299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).