[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid

C17H21N3O3 — CID 69283414

IUPAC[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid
SMILESCOC[C@@H]1CCCN1c1cc(C)nc2cc(NC(=O)O)ccc12
InChIInChI=1S/C17H21N3O3/c1-11-8-16(20-7-3-4-13(20)10-23-2)14-6-5-12(19-17(21)22)9-15(14)18-11/h5-6,8-9,13,19H,3-4,7,10H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyGIVXIEWWFAAVGA-ZDUSSCGKSA-N
MW315.37 g/mol
LogP3.25
Rot. Bonds4

About [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid

[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid (PubChem CID 69283414) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid.

Molecular Properties

Compound Name[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid
PubChem CID69283414
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid
SMILESCOC[C@@H]1CCCN1c1cc(C)nc2cc(NC(=O)O)ccc12
InChIInChI=1S/C17H21N3O3/c1-11-8-16(20-7-3-4-13(20)10-23-2)14-6-5-12(19-17(21)22)9-15(14)18-11/h5-6,8-9,13,19H,3-4,7,10H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyGIVXIEWWFAAVGA-ZDUSSCGKSA-N
XLogP3.25
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid?
The IUPAC name of [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid (CID 69283414) is [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid.
What is the SMILES notation for [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid?
The canonical SMILES for [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid is COC[C@@H]1CCCN1c1cc(C)nc2cc(NC(=O)O)ccc12.
What is the InChIKey of [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid?
The InChIKey is GIVXIEWWFAAVGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-8-16(20-7-3-4-13(20)10-23-2)14-6-5-12(19-17(21)22)9-15(14)18-11/h5-6,8-9,13,19H,3-4,7,10H2,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid?
[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid has a molecular weight of 315.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]carbamic acid is sourced from PubChem (CID 69283414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).