N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide

C23H23N3O — CID 18846865

IUPACN,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESCN(C)C(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12
InChIInChI=1S/C23H23N3O/c1-26(2)22(27)13-7-10-18-17-9-4-6-12-20(17)25-23(18)21-15-14-16-8-3-5-11-19(16)24-21/h3-6,8-9,11-12,14-15,25H,7,10,13H2,1-2H3
InChIKeyQCNLVZUGCCIASZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.79
Rot. Bonds5

About N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide

N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18846865) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18846865
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
SMILESCN(C)C(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12
InChIInChI=1S/C23H23N3O/c1-26(2)22(27)13-7-10-18-17-9-4-6-12-20(17)25-23(18)21-15-14-16-8-3-5-11-19(16)24-21/h3-6,8-9,11-12,14-15,25H,7,10,13H2,1-2H3
InChIKeyQCNLVZUGCCIASZ-UHFFFAOYSA-N
XLogP4.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(cyanomethyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846875
N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846860
N-(2,6-dichlorophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846946
N-(1,3-benzothiazol-2-yl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846883
N-(4-butylphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846827
N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846841
N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 18847450
4-nitro-N'-[4-(2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18846924
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide
CID 18847197
N-(3-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846904
N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18847086
ethyl 4-[4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18847392

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide (CID 18846865) is N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide is CN(C)C(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12.
What is the InChIKey of N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is QCNLVZUGCCIASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-26(2)22(27)13-7-10-18-17-9-4-6-12-20(17)25-23(18)21-15-14-16-8-3-5-11-19(16)24-21/h3-6,8-9,11-12,14-15,25H,7,10,13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide?
N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 357.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18846865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).