3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide

C22H23N5O2 — CID 97060681

IUPAC3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1
InChIInChI=1S/C22H23N5O2/c1-25(2)17-12-15-8-6-7-11-19(15)26(14-17)22(29)18-13-20(21(23)28)27(24-18)16-9-4-3-5-10-16/h3-11,13,17H,12,14H2,1-2H3,(H2,23,28)/t17-/m0/s1
InChIKeyNCGSWECIHTWABX-KRWDZBQOSA-N
MW389.46 g/mol
LogP2.10
Rot. Bonds4

About 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide

3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 97060681) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide
PubChem CID97060681
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1
InChIInChI=1S/C22H23N5O2/c1-25(2)17-12-15-8-6-7-11-19(15)26(14-17)22(29)18-13-20(21(23)28)27(24-18)16-9-4-3-5-10-16/h3-11,13,17H,12,14H2,1-2H3,(H2,23,28)/t17-/m0/s1
InChIKeyNCGSWECIHTWABX-KRWDZBQOSA-N
XLogP2.10
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide (CID 97060681) is 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide is CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1.
What is the InChIKey of 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is NCGSWECIHTWABX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-25(2)17-12-15-8-6-7-11-19(15)26(14-17)22(29)18-13-20(21(23)28)27(24-18)16-9-4-3-5-10-16/h3-11,13,17H,12,14H2,1-2H3,(H2,23,28)/t17-/m0/s1.
What are the key properties of 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 97060681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).