N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide

C18H23FN4O — CID 66777185

IUPACN-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2nc3c(C)c(F)ccc3cc2[C@H](C)N)C1
InChIInChI=1S/C18H23FN4O/c1-10-16(19)5-4-13-8-15(11(2)20)18(22-17(10)13)23-7-6-14(9-23)21-12(3)24/h4-5,8,11,14H,6-7,9,20H2,1-3H3,(H,21,24)/t11-,14+/m0/s1
InChIKeyLRBGFSWIIMKUHE-SMDDNHRTSA-N
MW330.41 g/mol
LogP2.42
Rot. Bonds3

About N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide (PubChem CID 66777185) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide
PubChem CID66777185
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2nc3c(C)c(F)ccc3cc2[C@H](C)N)C1
InChIInChI=1S/C18H23FN4O/c1-10-16(19)5-4-13-8-15(11(2)20)18(22-17(10)13)23-7-6-14(9-23)21-12(3)24/h4-5,8,11,14H,6-7,9,20H2,1-3H3,(H,21,24)/t11-,14+/m0/s1
InChIKeyLRBGFSWIIMKUHE-SMDDNHRTSA-N
XLogP2.42
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one
CID 71183494
1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid
CID 66776778
N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
methyl 4-[3-[(1S)-1-[(4-amino-1,3,5-triazin-2-yl)amino]ethyl]-7-fluoro-8-methylquinolin-2-yl]piperazine-1-carboxylate
CID 46898876
N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide
CID 123491507
1-[7-fluoro-8-methyl-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperidine-4-carboxamide;formic acid
CID 52938497
1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethylcarbamic acid
CID 71183555
N-[1-(2-amino-5-chloro-4-fluorophenyl)pyrrolidin-3-yl]acetamide
CID 114089074
N-[1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]acetamide
CID 70753874
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118264079

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide (CID 66777185) is N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2nc3c(C)c(F)ccc3cc2[C@H](C)N)C1.
What is the InChIKey of N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is LRBGFSWIIMKUHE-SMDDNHRTSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-10-16(19)5-4-13-8-15(11(2)20)18(22-17(10)13)23-7-6-14(9-23)21-12(3)24/h4-5,8,11,14H,6-7,9,20H2,1-3H3,(H,21,24)/t11-,14+/m0/s1.
What are the key properties of N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 66777185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).