N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C26H24N4O2S — CID 42924005

IUPACN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)cnc12
InChIInChI=1S/C26H24N4O2S/c1-17-6-4-8-19-25(17)29-16-30(26(19)32)12-11-24(31)28-15-21(23-10-5-13-33-23)20-14-27-22-9-3-2-7-18(20)22/h2-10,13-14,16,21,27H,11-12,15H2,1H3,(H,28,31)
InChIKeyYCDPQYUSQHUKRW-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.59
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 42924005) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID42924005
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)cnc12
InChIInChI=1S/C26H24N4O2S/c1-17-6-4-8-19-25(17)29-16-30(26(19)32)12-11-24(31)28-15-21(23-10-5-13-33-23)20-14-27-22-9-3-2-7-18(20)22/h2-10,13-14,16,21,27H,11-12,15H2,1H3,(H,28,31)
InChIKeyYCDPQYUSQHUKRW-UHFFFAOYSA-N
XLogP4.59
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 55329076
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55433688
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 27770982
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55436300
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55329126
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide
CID 51968356
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide
CID 27021791

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 42924005) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)NCC(c3cccs3)c3c[nH]c4ccccc34)cnc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is YCDPQYUSQHUKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-17-6-4-8-19-25(17)29-16-30(26(19)32)12-11-24(31)28-15-21(23-10-5-13-33-23)20-14-27-22-9-3-2-7-18(20)22/h2-10,13-14,16,21,27H,11-12,15H2,1H3,(H,28,31).
What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 456.57 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 42924005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).