2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

C19H23N3O2 — CID 135098225

IUPAC2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(CNC1CC1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C19H23N3O2/c23-19(10-21-15-5-6-15)22-18-12-24-11-14(18)9-13-7-8-20-17-4-2-1-3-16(13)17/h1-4,7-8,14-15,18,21H,5-6,9-12H2,(H,22,23)/t14-,18+/m1/s1
InChIKeyHDOHECLORJZDEM-KDOFPFPSSA-N
MW325.41 g/mol
LogP1.66
Rot. Bonds6

About 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 135098225) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID135098225
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(CNC1CC1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C19H23N3O2/c23-19(10-21-15-5-6-15)22-18-12-24-11-14(18)9-13-7-8-20-17-4-2-1-3-16(13)17/h1-4,7-8,14-15,18,21H,5-6,9-12H2,(H,22,23)/t14-,18+/m1/s1
InChIKeyHDOHECLORJZDEM-KDOFPFPSSA-N
XLogP1.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
CID 134707067
3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134701669
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide
CID 135087501
3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135107135
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135102279
3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 156584575
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135097661

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide (CID 135098225) is 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide is O=C(CNC1CC1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is HDOHECLORJZDEM-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(10-21-15-5-6-15)22-18-12-24-11-14(18)9-13-7-8-20-17-4-2-1-3-16(13)17/h1-4,7-8,14-15,18,21H,5-6,9-12H2,(H,22,23)/t14-,18+/m1/s1.
What are the key properties of 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide?
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 135098225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).