propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate

C19H24N4O3 — CID 52936107

IUPACpropan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ccn[nH]3)cc2[C@@H](NC(=O)OC(C)C)C[C@H]1C
InChIInChI=1S/C19H24N4O3/c1-11(2)26-19(25)21-17-9-12(3)23(13(4)24)18-6-5-14(10-15(17)18)16-7-8-20-22-16/h5-8,10-12,17H,9H2,1-4H3,(H,20,22)(H,21,25)/t12-,17+/m1/s1
InChIKeyGZHPOBTXTVEMSU-PXAZEXFGSA-N
MW356.43 g/mol
LogP3.40
Rot. Bonds3

About propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate

propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 52936107) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID52936107
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namepropan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ccn[nH]3)cc2[C@@H](NC(=O)OC(C)C)C[C@H]1C
InChIInChI=1S/C19H24N4O3/c1-11(2)26-19(25)21-17-9-12(3)23(13(4)24)18-6-5-14(10-15(17)18)16-7-8-20-22-16/h5-8,10-12,17H,9H2,1-4H3,(H,20,22)(H,21,25)/t12-,17+/m1/s1
InChIKeyGZHPOBTXTVEMSU-PXAZEXFGSA-N
XLogP3.40
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 52936107) is propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-c3ccn[nH]3)cc2[C@@H](NC(=O)OC(C)C)C[C@H]1C.
What is the InChIKey of propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is GZHPOBTXTVEMSU-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11(2)26-19(25)21-17-9-12(3)23(13(4)24)18-6-5-14(10-15(17)18)16-7-8-20-22-16/h5-8,10-12,17H,9H2,1-4H3,(H,20,22)(H,21,25)/t12-,17+/m1/s1.
What are the key properties of propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 356.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 52936107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).