N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide

C20H17N5O3 — CID 27021791

IUPACN'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide
SMILESCc1cccc2c(=O)n(CC(=O)NNC(=O)c3c[nH]c4ccccc34)cnc12
InChIInChI=1S/C20H17N5O3/c1-12-5-4-7-14-18(12)22-11-25(20(14)28)10-17(26)23-24-19(27)15-9-21-16-8-3-2-6-13(15)16/h2-9,11,21H,10H2,1H3,(H,23,26)(H,24,27)
InChIKeyCCGZBWPEYIOWTQ-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.65
Rot. Bonds3

About N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide

N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide (PubChem CID 27021791) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide
PubChem CID27021791
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide
SMILESCc1cccc2c(=O)n(CC(=O)NNC(=O)c3c[nH]c4ccccc34)cnc12
InChIInChI=1S/C20H17N5O3/c1-12-5-4-7-14-18(12)22-11-25(20(14)28)10-17(26)23-24-19(27)15-9-21-16-8-3-2-6-13(15)16/h2-9,11,21H,10H2,1H3,(H,23,26)(H,24,27)
InChIKeyCCGZBWPEYIOWTQ-UHFFFAOYSA-N
XLogP1.65
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide
CID 27019627
N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
CID 150829256
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 27006982
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 27033610
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42924005
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55643698
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 27873413

Frequently Asked Questions

What is the IUPAC name of N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide (CID 27021791) is N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide is Cc1cccc2c(=O)n(CC(=O)NNC(=O)c3c[nH]c4ccccc34)cnc12.
What is the InChIKey of N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide?
The InChIKey is CCGZBWPEYIOWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-12-5-4-7-14-18(12)22-11-25(20(14)28)10-17(26)23-24-19(27)15-9-21-16-8-3-2-6-13(15)16/h2-9,11,21H,10H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide?
N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide has a molecular weight of 375.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 27021791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).