2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C16H26N4O2 — CID 71830187

IUPAC2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)NCCOC)C2
InChIInChI=1S/C16H26N4O2/c1-4-20(5-2)16-18-11-13-10-12(6-7-14(13)19-16)15(21)17-8-9-22-3/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyATAVPHROZYOGKZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.19
Rot. Bonds7

About 2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71830187) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71830187
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)NCCOC)C2
InChIInChI=1S/C16H26N4O2/c1-4-20(5-2)16-18-11-13-10-12(6-7-14(13)19-16)15(21)17-8-9-22-3/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyATAVPHROZYOGKZ-UHFFFAOYSA-N
XLogP1.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
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-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71830187) is 2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCN(CC)c1ncc2c(n1)CCC(C(=O)NCCOC)C2.
What is the InChIKey of 2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is ATAVPHROZYOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-20(5-2)16-18-11-13-10-12(6-7-14(13)19-16)15(21)17-8-9-22-3/h11-12H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71830187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).