N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide

C20H17N5O — CID 10088809

IUPACN-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)N=C(N)N)cn2-c1ccnc2ccccc12
InChIInChI=1S/C20H17N5O/c1-12-6-7-17-14(10-12)15(19(26)24-20(21)22)11-25(17)18-8-9-23-16-5-3-2-4-13(16)18/h2-11H,1H3,(H4,21,22,24,26)
InChIKeyNLQPGNNTRRUVIC-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.90
Rot. Bonds2

About N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide

N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide (PubChem CID 10088809) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide
PubChem CID10088809
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)N=C(N)N)cn2-c1ccnc2ccccc12
InChIInChI=1S/C20H17N5O/c1-12-6-7-17-14(10-12)15(19(26)24-20(21)22)11-25(17)18-8-9-23-16-5-3-2-4-13(16)18/h2-11H,1H3,(H4,21,22,24,26)
InChIKeyNLQPGNNTRRUVIC-UHFFFAOYSA-N
XLogP2.90
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide (CID 10088809) is N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide is Cc1ccc2c(c1)c(C(=O)N=C(N)N)cn2-c1ccnc2ccccc12.
What is the InChIKey of N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide?
The InChIKey is NLQPGNNTRRUVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-6-7-17-14(10-12)15(19(26)24-20(21)22)11-25(17)18-8-9-23-16-5-3-2-4-13(16)18/h2-11H,1H3,(H4,21,22,24,26).
What are the key properties of N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide?
N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide is sourced from PubChem (CID 10088809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).