N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C18H19N5O2 — CID 47025787

IUPACN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCn1ncc2c1CCCC2NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H19N5O2/c1-22-16-8-4-7-15(13(16)9-20-22)21-17(24)10-23-11-19-14-6-3-2-5-12(14)18(23)25/h2-3,5-6,9,11,15H,4,7-8,10H2,1H3,(H,21,24)
InChIKeyUNTVDPBGVRWKLX-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.32
Rot. Bonds3

About N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 47025787) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID47025787
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCn1ncc2c1CCCC2NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H19N5O2/c1-22-16-8-4-7-15(13(16)9-20-22)21-17(24)10-23-11-19-14-6-3-2-5-12(14)18(23)25/h2-3,5-6,9,11,15H,4,7-8,10H2,1H3,(H,21,24)
InChIKeyUNTVDPBGVRWKLX-UHFFFAOYSA-N
XLogP1.32
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 94080105
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 18115170
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 155990175
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide
CID 38815166
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 56731320

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 47025787) is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide is Cn1ncc2c1CCCC2NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is UNTVDPBGVRWKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22-16-8-4-7-15(13(16)9-20-22)21-17(24)10-23-11-19-14-6-3-2-5-12(14)18(23)25/h2-3,5-6,9,11,15H,4,7-8,10H2,1H3,(H,21,24).
What are the key properties of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 47025787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).