1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea

C21H24N6O — CID 72853441

IUPAC1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea
SMILESCc1cc2c(NC(=O)NCCc3nc(C)c4c(n3)CCCC4)cccc2nn1
InChIInChI=1S/C21H24N6O/c1-13-12-16-18(8-5-9-19(16)27-26-13)25-21(28)22-11-10-20-23-14(2)15-6-3-4-7-17(15)24-20/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H2,22,25,28)
InChIKeyQOJAEWIVCLUHNE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.28
Rot. Bonds4

About 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea

1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea (PubChem CID 72853441) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea
PubChem CID72853441
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea
SMILESCc1cc2c(NC(=O)NCCc3nc(C)c4c(n3)CCCC4)cccc2nn1
InChIInChI=1S/C21H24N6O/c1-13-12-16-18(8-5-9-19(16)27-26-13)25-21(28)22-11-10-20-23-14(2)15-6-3-4-7-17(15)24-20/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H2,22,25,28)
InChIKeyQOJAEWIVCLUHNE-UHFFFAOYSA-N
XLogP3.28
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(3-methylcinnolin-5-yl)urea
CID 72885852
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 91834323
1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
CID 118778430
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-methylcinnolin-5-yl)urea
CID 118782413
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91772314
(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 124755594
1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea
CID 6409921
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50953115
4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide
CID 90650914
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 131902037
5-ethoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 91783712
1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3-[3-(tetrazol-1-yl)phenyl]urea
CID 72859388

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea?
The IUPAC name of 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea (CID 72853441) is 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea is Cc1cc2c(NC(=O)NCCc3nc(C)c4c(n3)CCCC4)cccc2nn1.
What is the InChIKey of 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea?
The InChIKey is QOJAEWIVCLUHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13-12-16-18(8-5-9-19(16)27-26-13)25-21(28)22-11-10-20-23-14(2)15-6-3-4-7-17(15)24-20/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H2,22,25,28).
What are the key properties of 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea?
1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea has a molecular weight of 376.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 72853441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).