N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide

C24H25N3O3 — CID 55754437

IUPACN-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCc1nc2ccccc2c2c(NC(=O)CCOCC3CCCO3)c3ccccc3n12
InChIInChI=1S/C24H25N3O3/c1-16-25-20-10-4-2-8-18(20)24-23(19-9-3-5-11-21(19)27(16)24)26-22(28)12-14-29-15-17-7-6-13-30-17/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,26,28)
InChIKeyPALBTLSLFPZOCW-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.47
Rot. Bonds6

About N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide

N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55754437) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55754437
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCc1nc2ccccc2c2c(NC(=O)CCOCC3CCCO3)c3ccccc3n12
InChIInChI=1S/C24H25N3O3/c1-16-25-20-10-4-2-8-18(20)24-23(19-9-3-5-11-21(19)27(16)24)26-22(28)12-14-29-15-17-7-6-13-30-17/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,26,28)
InChIKeyPALBTLSLFPZOCW-UHFFFAOYSA-N
XLogP4.47
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 71985293
2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 94103645
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55760705
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
3-(oxolan-2-ylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 87018859
N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55721483
3-(oxolan-2-ylmethoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 55719245
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
CID 119224790
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111785629
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55763981
3-methyl-1-[2-(oxolan-2-ylmethoxy)ethylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133315015

Frequently Asked Questions

What is the IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide (CID 55754437) is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide is Cc1nc2ccccc2c2c(NC(=O)CCOCC3CCCO3)c3ccccc3n12.
What is the InChIKey of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is PALBTLSLFPZOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-25-20-10-4-2-8-18(20)24-23(19-9-3-5-11-21(19)27(16)24)26-22(28)12-14-29-15-17-7-6-13-30-17/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,26,28).
What are the key properties of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide?
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 403.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55754437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).