N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide

C16H24N4O2 — CID 56903424

IUPACN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CNCCO2)nc2c1CCCC2
InChIInChI=1S/C16H24N4O2/c1-11-12-4-2-3-5-13(12)20-15(19-11)6-7-18-16(21)14-10-17-8-9-22-14/h14,17H,2-10H2,1H3,(H,18,21)
InChIKeyJYAFPZDVRFWCLL-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.31
Rot. Bonds4

About N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide

N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide (PubChem CID 56903424) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide
PubChem CID56903424
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CNCCO2)nc2c1CCCC2
InChIInChI=1S/C16H24N4O2/c1-11-12-4-2-3-5-13(12)20-15(19-11)6-7-18-16(21)14-10-17-8-9-22-14/h14,17H,2-10H2,1H3,(H,18,21)
InChIKeyJYAFPZDVRFWCLL-UHFFFAOYSA-N
XLogP0.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide (CID 56903424) is N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide is Cc1nc(CCNC(=O)C2CNCCO2)nc2c1CCCC2.
What is the InChIKey of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is JYAFPZDVRFWCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-12-4-2-3-5-13(12)20-15(19-11)6-7-18-16(21)14-10-17-8-9-22-14/h14,17H,2-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide?
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 56903424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).