(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine

C19H22N4O — CID 154743177

IUPAC(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine
SMILESCc1ccc2cc(CN[C@H]3CCO[C@@H]3c3ccnn3C)ccc2n1
InChIInChI=1S/C19H22N4O/c1-13-3-5-15-11-14(4-6-16(15)22-13)12-20-17-8-10-24-19(17)18-7-9-21-23(18)2/h3-7,9,11,17,19-20H,8,10,12H2,1-2H3/t17-,19-/m0/s1
InChIKeyNJAXKAGVHTYSQR-HKUYNNGSSA-N
MW322.41 g/mol
LogP2.90
Rot. Bonds4

About (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine

(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine (PubChem CID 154743177) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine
PubChem CID154743177
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine
SMILESCc1ccc2cc(CN[C@H]3CCO[C@@H]3c3ccnn3C)ccc2n1
InChIInChI=1S/C19H22N4O/c1-13-3-5-15-11-14(4-6-16(15)22-13)12-20-17-8-10-24-19(17)18-7-9-21-23(18)2/h3-7,9,11,17,19-20H,8,10,12H2,1-2H3/t17-,19-/m0/s1
InChIKeyNJAXKAGVHTYSQR-HKUYNNGSSA-N
XLogP2.90
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine (CID 154743177) is (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine is Cc1ccc2cc(CN[C@H]3CCO[C@@H]3c3ccnn3C)ccc2n1.
What is the InChIKey of (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine?
The InChIKey is NJAXKAGVHTYSQR-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-3-5-15-11-14(4-6-16(15)22-13)12-20-17-8-10-24-19(17)18-7-9-21-23(18)2/h3-7,9,11,17,19-20H,8,10,12H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine?
(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine has a molecular weight of 322.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 154743177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).