2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one

C27H24N4O2 — CID 135542792

IUPAC2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(CC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C27H24N4O2/c1-30(17-24-28-21-14-8-6-12-19(21)27(33)29-24)16-23(32)25-20-13-7-9-15-22(20)31(2)26(25)18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,28,29,33)
InChIKeyOURNQYIGSUTBEM-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.40
Rot. Bonds6

About 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one

2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 135542792) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID135542792
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one
SMILESCN(CC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C27H24N4O2/c1-30(17-24-28-21-14-8-6-12-19(21)27(33)29-24)16-23(32)25-20-13-7-9-15-22(20)31(2)26(25)18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,28,29,33)
InChIKeyOURNQYIGSUTBEM-UHFFFAOYSA-N
XLogP4.40
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 135783121
N-(2,6-dimethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808933
N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135473828
2-[[methyl-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]amino]methyl]-3H-quinazolin-4-one
CID 135875154
N-(2,6-diethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135854716
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
2-[[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135687482
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one (CID 135542792) is 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one is CN(CC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is OURNQYIGSUTBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-30(17-24-28-21-14-8-6-12-19(21)27(33)29-24)16-23(32)25-20-13-7-9-15-22(20)31(2)26(25)18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,28,29,33).
What are the key properties of 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one?
2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 436.52 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135542792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).