N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide

C19H28N4O2 — CID 110237940

IUPACN-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCCc2nc(N3CCOCC3)ncc21)C1CCCCC1
InChIInChI=1S/C19H28N4O2/c24-18(14-5-2-1-3-6-14)21-16-7-4-8-17-15(16)13-20-19(22-17)23-9-11-25-12-10-23/h13-14,16H,1-12H2,(H,21,24)
InChIKeyYQPPFUJTJYWVHE-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.39
Rot. Bonds3

About N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide

N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide (PubChem CID 110237940) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide
PubChem CID110237940
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide
SMILESO=C(NC1CCCc2nc(N3CCOCC3)ncc21)C1CCCCC1
InChIInChI=1S/C19H28N4O2/c24-18(14-5-2-1-3-6-14)21-16-7-4-8-17-15(16)13-20-19(22-17)23-9-11-25-12-10-23/h13-14,16H,1-12H2,(H,21,24)
InChIKeyYQPPFUJTJYWVHE-UHFFFAOYSA-N
XLogP2.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide (CID 110237940) is N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide is O=C(NC1CCCc2nc(N3CCOCC3)ncc21)C1CCCCC1.
What is the InChIKey of N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide?
The InChIKey is YQPPFUJTJYWVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(14-5-2-1-3-6-14)21-16-7-4-8-17-15(16)13-20-19(22-17)23-9-11-25-12-10-23/h13-14,16H,1-12H2,(H,21,24).
What are the key properties of N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide?
N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 110237940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).