N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide

C20H18N4O2 — CID 71706749

IUPACN-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide
SMILESCc1nc2ccccc2c(=O)n1CCNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C20H18N4O2/c1-13-23-18-7-3-2-5-16(18)20(26)24(13)12-11-22-19(25)15-6-4-8-17-14(15)9-10-21-17/h2-10,21H,11-12H2,1H3,(H,22,25)
InChIKeyHLDDENZXRKVTSH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide

N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide (PubChem CID 71706749) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide
PubChem CID71706749
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide
SMILESCc1nc2ccccc2c(=O)n1CCNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C20H18N4O2/c1-13-23-18-7-3-2-5-16(18)20(26)24(13)12-11-22-19(25)15-6-4-8-17-14(15)9-10-21-17/h2-10,21H,11-12H2,1H3,(H,22,25)
InChIKeyHLDDENZXRKVTSH-UHFFFAOYSA-N
XLogP2.62
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide
CID 52901502
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-indole-3-carboxamide
CID 25393465
N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 56573307
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
2-methoxy-N-[2-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)ethyl]benzamide
CID 71708256
N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 71703213
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
CID 4825768
methyl 8-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoylamino]octanoate
CID 71851736
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
1H-indole-4-carbohydrazide
CID 43316644
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide (CID 71706749) is N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide is Cc1nc2ccccc2c(=O)n1CCNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide?
The InChIKey is HLDDENZXRKVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-23-18-7-3-2-5-16(18)20(26)24(13)12-11-22-19(25)15-6-4-8-17-14(15)9-10-21-17/h2-10,21H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide?
N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 71706749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).