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

C20H22N4O3 — CID 15999894

IUPAC2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide
SMILESCCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccn3)ccc2c1=O
InChIInChI=1S/C20H22N4O3/c1-2-3-6-11-24-19(26)16-9-8-14(12-17(16)23-20(24)27)18(25)22-13-15-7-4-5-10-21-15/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,22,25)(H,23,27)
InChIKeyYVBNIACKOGGHBD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.20
Rot. Bonds7

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

2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide (PubChem CID 15999894) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide
PubChem CID15999894
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide
SMILESCCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccn3)ccc2c1=O
InChIInChI=1S/C20H22N4O3/c1-2-3-6-11-24-19(26)16-9-8-14(12-17(16)23-20(24)27)18(25)22-13-15-7-4-5-10-21-15/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,22,25)(H,23,27)
InChIKeyYVBNIACKOGGHBD-UHFFFAOYSA-N
XLogP2.20
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.20
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-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The IUPAC name of 2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide (CID 15999894) is 2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for 2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide is CCCCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccn3)ccc2c1=O.
What is the InChIKey of 2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The InChIKey is YVBNIACKOGGHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-3-6-11-24-19(26)16-9-8-14(12-17(16)23-20(24)27)18(25)22-13-15-7-4-5-10-21-15/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide?
2,4-dioxo-3-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.20, 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-pentyl-N-(pyridin-2-ylmethyl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 15999894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).