N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C26H24N4O2 — CID 43066804

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3ccccc3N3CCc4ccccc43)cnc12
InChIInChI=1S/C26H24N4O2/c1-18-7-6-9-20-25(18)27-17-29(26(20)32)15-14-24(31)28-21-10-3-5-12-23(21)30-16-13-19-8-2-4-11-22(19)30/h2-12,17H,13-16H2,1H3,(H,28,31)
InChIKeyFXTXFFDPTSLWNN-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.43
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 43066804) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID43066804
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3ccccc3N3CCc4ccccc43)cnc12
InChIInChI=1S/C26H24N4O2/c1-18-7-6-9-20-25(18)27-17-29(26(20)32)15-14-24(31)28-21-10-3-5-12-23(21)30-16-13-19-8-2-4-11-22(19)30/h2-12,17H,13-16H2,1H3,(H,28,31)
InChIKeyFXTXFFDPTSLWNN-UHFFFAOYSA-N
XLogP4.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
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CID 60524613
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N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
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N-(2-chlorophenyl)-2-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
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3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 43066804) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)Nc3ccccc3N3CCc4ccccc43)cnc12.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is FXTXFFDPTSLWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-18-7-6-9-20-25(18)27-17-29(26(20)32)15-14-24(31)28-21-10-3-5-12-23(21)30-16-13-19-8-2-4-11-22(19)30/h2-12,17H,13-16H2,1H3,(H,28,31).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 424.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 43066804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).