N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide

C21H26N4O2 — CID 71842370

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C21H26N4O2/c26-21(22-9-8-16-4-2-1-3-5-16)17-6-7-19-18(14-17)20(24-15-23-19)25-10-12-27-13-11-25/h4,6-7,14-15H,1-3,5,8-13H2,(H,22,26)
InChIKeyJDBWYTOWTNBLLC-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide (PubChem CID 71842370) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
PubChem CID71842370
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C21H26N4O2/c26-21(22-9-8-16-4-2-1-3-5-16)17-6-7-19-18(14-17)20(24-15-23-19)25-10-12-27-13-11-25/h4,6-7,14-15H,1-3,5,8-13H2,(H,22,26)
InChIKeyJDBWYTOWTNBLLC-UHFFFAOYSA-N
XLogP3.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109052413
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 46375087
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848279
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842457
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387902
4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137648
N-[2-(cyclohexen-1-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950917
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87039300
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847445
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide (CID 71842370) is N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide is O=C(NCCC1=CCCCC1)c1ccc2ncnc(N3CCOCC3)c2c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide?
The InChIKey is JDBWYTOWTNBLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(22-9-8-16-4-2-1-3-5-16)17-6-7-19-18(14-17)20(24-15-23-19)25-10-12-27-13-11-25/h4,6-7,14-15H,1-3,5,8-13H2,(H,22,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71842370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).