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

C20H25N3O3 — CID 135141503

IUPACpropan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ccc[nH]3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
InChIKeyFVBZXKOSEIRNSU-SCLBCKFNSA-N
MW355.44 g/mol
LogP4.00
Rot. Bonds3

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

propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 135141503) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID135141503
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namepropan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ccc[nH]3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1
InChIKeyFVBZXKOSEIRNSU-SCLBCKFNSA-N
XLogP4.00
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 135141503) is propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-c3ccc[nH]3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C.
What is the InChIKey of propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is FVBZXKOSEIRNSU-SCLBCKFNSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12(2)26-20(25)22-18-10-13(3)23(14(4)24)19-8-7-15(11-16(18)19)17-6-5-9-21-17/h5-9,11-13,18,21H,10H2,1-4H3,(H,22,25)/t13-,18+/m0/s1.
What are the key properties of propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 135141503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).