1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea

C18H27N5O2 — CID 45173118

IUPAC1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CC(C)(C)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C18H27N5O2/c1-4-5-19-17(24)22-15-11-18(2,3)10-14-13(15)12-20-16(21-14)23-6-8-25-9-7-23/h4,12,15H,1,5-11H2,2-3H3,(H2,19,22,24)
InChIKeyFCRNWWGBFBKJCD-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.81
Rot. Bonds4

About 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea

1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea (PubChem CID 45173118) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea
PubChem CID45173118
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC1CC(C)(C)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C18H27N5O2/c1-4-5-19-17(24)22-15-11-18(2,3)10-14-13(15)12-20-16(21-14)23-6-8-25-9-7-23/h4,12,15H,1,5-11H2,2-3H3,(H2,19,22,24)
InChIKeyFCRNWWGBFBKJCD-UHFFFAOYSA-N
XLogP1.81
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea with MolForge

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Related Compounds

N~1~-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)-N~2~,N~2~-dimethylglycinamide
CID 45202946
N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)-4-(dimethylamino)butanamide
CID 45245336
N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)-2-(methylamino)acetamide
CID 72857480
2-amino-N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72868715
2-methyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 110237938
N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclohexanecarboxamide
CID 110237940
2-cyclohexyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 110237941
2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 110237945
N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 110237950
N-(tert-butyl)-N'-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]urea
CID 45212697
N-(2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinyl)-4-(2-oxo-1-pyrrolidinyl)butanamide
CID 45249244
2-(diethylamino)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71830187

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea (CID 45173118) is 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea is C=CCNC(=O)NC1CC(C)(C)Cc2nc(N3CCOCC3)ncc21.
What is the InChIKey of 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea?
The InChIKey is FCRNWWGBFBKJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-5-19-17(24)22-15-11-18(2,3)10-14-13(15)12-20-16(21-14)23-6-8-25-9-7-23/h4,12,15H,1,5-11H2,2-3H3,(H2,19,22,24).
What are the key properties of 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea?
1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea has a molecular weight of 345.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3-prop-2-enylurea is sourced from PubChem (CID 45173118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).