1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide

C19H21N3O3 — CID 135089561

IUPAC1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C19H21N3O3/c20-17(23)19(6-7-19)18(24)22-16-11-25-10-13(16)9-12-5-8-21-15-4-2-1-3-14(12)15/h1-5,8,13,16H,6-7,9-11H2,(H2,20,23)(H,22,24)/t13-,16+/m1/s1
InChIKeyDZYICKUELPOGAN-CJNGLKHVSA-N
MW339.39 g/mol
LogP1.17
Rot. Bonds5

About 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide

1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 135089561) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide
PubChem CID135089561
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C19H21N3O3/c20-17(23)19(6-7-19)18(24)22-16-11-25-10-13(16)9-12-5-8-21-15-4-2-1-3-14(12)15/h1-5,8,13,16H,6-7,9-11H2,(H2,20,23)(H,22,24)/t13-,16+/m1/s1
InChIKeyDZYICKUELPOGAN-CJNGLKHVSA-N
XLogP1.17
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135090695
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-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135106936
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 156586814
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide
CID 135087501
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
CID 134707067
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134701669

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide (CID 135089561) is 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1.
What is the InChIKey of 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is DZYICKUELPOGAN-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-17(23)19(6-7-19)18(24)22-16-11-25-10-13(16)9-12-5-8-21-15-4-2-1-3-14(12)15/h1-5,8,13,16H,6-7,9-11H2,(H2,20,23)(H,22,24)/t13-,16+/m1/s1.
What are the key properties of 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide?
1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 135089561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).