3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide

C23H24N4O2 — CID 135962225

IUPAC3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N4O2/c1-15(2)27(14-21-25-20-10-6-4-8-18(20)23(29)26-21)22(28)12-11-16-13-24-19-9-5-3-7-17(16)19/h3-10,13,15,24H,11-12,14H2,1-2H3,(H,25,26,29)
InChIKeyBSDFDRNAJWXFEE-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.77
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide

3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide (PubChem CID 135962225) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
PubChem CID135962225
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N4O2/c1-15(2)27(14-21-25-20-10-6-4-8-18(20)23(29)26-21)22(28)12-11-16-13-24-19-9-5-3-7-17(16)19/h3-10,13,15,24H,11-12,14H2,1-2H3,(H,25,26,29)
InChIKeyBSDFDRNAJWXFEE-UHFFFAOYSA-N
XLogP3.77
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide with MolForge

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137287040
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
CID 135962216
2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
CID 136903472
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135993449
(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 135734801
3-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962235
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 135956681
4-(2-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 137284798
(1S)-2,2-dichloro-1-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 136712327
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide
CID 137281126

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide (CID 135962225) is 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is BSDFDRNAJWXFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)27(14-21-25-20-10-6-4-8-18(20)23(29)26-21)22(28)12-11-16-13-24-19-9-5-3-7-17(16)19/h3-10,13,15,24H,11-12,14H2,1-2H3,(H,25,26,29).
What are the key properties of 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 388.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 135962225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).