N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide

C17H23N3O4 — CID 73216907

IUPACN-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NCCOC)C=CC2C1=O
InChIInChI=1S/C17H23N3O4/c1-3-4-5-9-20-16(22)13-7-6-12(11-14(13)19-17(20)23)15(21)18-8-10-24-2/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,18,21)
InChIKeyGBIKNNXCMSTGEX-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.45
Rot. Bonds8

About N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide

N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide (PubChem CID 73216907) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
PubChem CID73216907
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NCCOC)C=CC2C1=O
InChIInChI=1S/C17H23N3O4/c1-3-4-5-9-20-16(22)13-7-6-12(11-14(13)19-17(20)23)15(21)18-8-10-24-2/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,18,21)
InChIKeyGBIKNNXCMSTGEX-UHFFFAOYSA-N
XLogP1.45
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 73215559
CID 73215559
CID 73216550
CID 73216550
CID 73216741
CID 73216741
CID 73216984
CID 73216984
CID 73217054
CID 73217054
CID 73217208
CID 73217208
CID 73217210
CID 73217210
CID 73217512
CID 73217512
CID 73217660
CID 73217660
CID 73218146
CID 73218146
CID 73218151
CID 73218151
CID 73218333
CID 73218333

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide (CID 73216907) is N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide is CCCCCN1C(=O)N=C2C=C(C(=O)NCCOC)C=CC2C1=O.
What is the InChIKey of N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The InChIKey is GBIKNNXCMSTGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-4-5-9-20-16(22)13-7-6-12(11-14(13)19-17(20)23)15(21)18-8-10-24-2/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73216907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).