N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide

C22H27N5O — CID 95047395

IUPACN,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)N(C)[C@H]3CCN(C)C3)cc(-c3cnn(C)c3)nc2c1C
InChIInChI=1S/C22H27N5O/c1-14-6-7-18-19(22(28)27(5)17-8-9-25(3)13-17)10-20(24-21(18)15(14)2)16-11-23-26(4)12-16/h6-7,10-12,17H,8-9,13H2,1-5H3/t17-/m0/s1
InChIKeyVUJXSXXLFMQGOA-KRWDZBQOSA-N
MW377.49 g/mol
LogP3.03
Rot. Bonds3

About N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide

N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 95047395) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID95047395
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)N(C)[C@H]3CCN(C)C3)cc(-c3cnn(C)c3)nc2c1C
InChIInChI=1S/C22H27N5O/c1-14-6-7-18-19(22(28)27(5)17-8-9-25(3)13-17)10-20(24-21(18)15(14)2)16-11-23-26(4)12-16/h6-7,10-12,17H,8-9,13H2,1-5H3/t17-/m0/s1
InChIKeyVUJXSXXLFMQGOA-KRWDZBQOSA-N
XLogP3.03
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,8-dimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95045887
N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46999144
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 46985716
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone
CID 95047470
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
CID 95046294
N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 166392385
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95046756
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95046755
7-methoxy-N,N-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46982682
[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95047271
[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046040

Frequently Asked Questions

What is the IUPAC name of N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide (CID 95047395) is N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide is Cc1ccc2c(C(=O)N(C)[C@H]3CCN(C)C3)cc(-c3cnn(C)c3)nc2c1C.
What is the InChIKey of N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is VUJXSXXLFMQGOA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-6-7-18-19(22(28)27(5)17-8-9-25(3)13-17)10-20(24-21(18)15(14)2)16-11-23-26(4)12-16/h6-7,10-12,17H,8-9,13H2,1-5H3/t17-/m0/s1.
What are the key properties of N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide?
N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 95047395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).