2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine

C14H22N4O — CID 146364699

IUPAC2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine
SMILESCO[C@H]1CN(c2ccc3c(n2)CCC(N)C3)C[C@@H]1N
InChIInChI=1S/C14H22N4O/c1-19-13-8-18(7-11(13)16)14-5-2-9-6-10(15)3-4-12(9)17-14/h2,5,10-11,13H,3-4,6-8,15-16H2,1H3/t10?,11-,13-/m0/s1
InChIKeyYZOKKRYSRKRCFT-KUNJKIHDSA-N
MW262.36 g/mol
LogP0.06
Rot. Bonds2

About 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine

2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine (PubChem CID 146364699) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine.

Molecular Properties

Compound Name2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine
PubChem CID146364699
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine
SMILESCO[C@H]1CN(c2ccc3c(n2)CCC(N)C3)C[C@@H]1N
InChIInChI=1S/C14H22N4O/c1-19-13-8-18(7-11(13)16)14-5-2-9-6-10(15)3-4-12(9)17-14/h2,5,10-11,13H,3-4,6-8,15-16H2,1H3/t10?,11-,13-/m0/s1
InChIKeyYZOKKRYSRKRCFT-KUNJKIHDSA-N
XLogP0.06
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine?
The IUPAC name of 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine (CID 146364699) is 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine.
What is the SMILES notation for 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine?
The canonical SMILES for 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine is CO[C@H]1CN(c2ccc3c(n2)CCC(N)C3)C[C@@H]1N.
What is the InChIKey of 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine?
The InChIKey is YZOKKRYSRKRCFT-KUNJKIHDSA-N. The full InChI is InChI=1S/C14H22N4O/c1-19-13-8-18(7-11(13)16)14-5-2-9-6-10(15)3-4-12(9)17-14/h2,5,10-11,13H,3-4,6-8,15-16H2,1H3/t10?,11-,13-/m0/s1.
What are the key properties of 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine?
2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine has a molecular weight of 262.36 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-amine is sourced from PubChem (CID 146364699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).