ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate

C22H26N4O4 — CID 53193985

IUPACethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)cc1
InChIInChI=1S/C22H26N4O4/c1-2-30-21(28)15-3-6-18(7-4-15)24-20(27)16-5-8-19-17(13-16)14-23-22(25-19)26-9-11-29-12-10-26/h3-4,6-7,14,16H,2,5,8-13H2,1H3,(H,24,27)
InChIKeyYDOZEWAIPRNKKG-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.23
Rot. Bonds5

About ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate

ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate (PubChem CID 53193985) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate
PubChem CID53193985
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Nameethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)cc1
InChIInChI=1S/C22H26N4O4/c1-2-30-21(28)15-3-6-18(7-4-15)24-20(27)16-5-8-19-17(13-16)14-23-22(25-19)26-9-11-29-12-10-26/h3-4,6-7,14,16H,2,5,8-13H2,1H3,(H,24,27)
InChIKeyYDOZEWAIPRNKKG-UHFFFAOYSA-N
XLogP2.23
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836077
N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193997
(6R)-N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112148
(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112147
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836063
(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112093
(6S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129423087
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 18580234
(6R)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111922
ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109133425
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
(6R)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 28820466

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate (CID 53193985) is ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)cc1.
What is the InChIKey of ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate?
The InChIKey is YDOZEWAIPRNKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-2-30-21(28)15-3-6-18(7-4-15)24-20(27)16-5-8-19-17(13-16)14-23-22(25-19)26-9-11-29-12-10-26/h3-4,6-7,14,16H,2,5,8-13H2,1H3,(H,24,27).
What are the key properties of ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate?
ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate has a molecular weight of 410.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate is sourced from PubChem (CID 53193985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).