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

C20H25N3O4 — CID 3243224

IUPACN-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C20H25N3O4/c24-18(21-14-5-2-1-3-6-14)13-8-9-16-17(11-13)22-20(26)23(19(16)25)12-15-7-4-10-27-15/h8-9,11,14-15H,1-7,10,12H2,(H,21,24)(H,22,26)
InChIKeyVGIAKDMQQYNPLL-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.93
Rot. Bonds4

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

N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide (PubChem CID 3243224) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide
PubChem CID3243224
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C20H25N3O4/c24-18(21-14-5-2-1-3-6-14)13-8-9-16-17(11-13)22-20(26)23(19(16)25)12-15-7-4-10-27-15/h8-9,11,14-15H,1-7,10,12H2,(H,21,24)(H,22,26)
InChIKeyVGIAKDMQQYNPLL-UHFFFAOYSA-N
XLogP1.93
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The IUPAC name of N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide (CID 3243224) is N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide is O=C(NC1CCCCC1)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The InChIKey is VGIAKDMQQYNPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-18(21-14-5-2-1-3-6-14)13-8-9-16-17(11-13)22-20(26)23(19(16)25)12-15-7-4-10-27-15/h8-9,11,14-15H,1-7,10,12H2,(H,21,24)(H,22,26).
What are the key properties of N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide?
N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 3243224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).