2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide

C24H21ClN4O2 — CID 110251401

IUPAC2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCn1c(C(=O)N2CCC(c3cc(C(N)=O)c4ccccc4n3)C2)cc2cc(Cl)ccc21
InChIInChI=1S/C24H21ClN4O2/c1-28-21-7-6-16(25)10-15(21)11-22(28)24(31)29-9-8-14(13-29)20-12-18(23(26)30)17-4-2-3-5-19(17)27-20/h2-7,10-12,14H,8-9,13H2,1H3,(H2,26,30)
InChIKeyHATCXAVCPIYHHE-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.11
Rot. Bonds3

About 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide

2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 110251401) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID110251401
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCn1c(C(=O)N2CCC(c3cc(C(N)=O)c4ccccc4n3)C2)cc2cc(Cl)ccc21
InChIInChI=1S/C24H21ClN4O2/c1-28-21-7-6-16(25)10-15(21)11-22(28)24(31)29-9-8-14(13-29)20-12-18(23(26)30)17-4-2-3-5-19(17)27-20/h2-7,10-12,14H,8-9,13H2,1H3,(H2,26,30)
InChIKeyHATCXAVCPIYHHE-UHFFFAOYSA-N
XLogP4.11
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636929
2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636924
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
2-[(3S)-1-[(1,3-diethyl-2-oxobenzimidazol-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638817
[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 92638714
2-[1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251475
1-[(3S)-3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 92636312
N,N-dimethyl-2-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251428
1-[3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone
CID 110251561
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 41419848

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide (CID 110251401) is 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide is Cn1c(C(=O)N2CCC(c3cc(C(N)=O)c4ccccc4n3)C2)cc2cc(Cl)ccc21.
What is the InChIKey of 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is HATCXAVCPIYHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-28-21-7-6-16(25)10-15(21)11-22(28)24(31)29-9-8-14(13-29)20-12-18(23(26)30)17-4-2-3-5-19(17)27-20/h2-7,10-12,14H,8-9,13H2,1H3,(H2,26,30).
What are the key properties of 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide?
2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-1-methylindole-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 110251401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).