1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide

C25H33N3O2 — CID 135090695

IUPAC1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C25H33N3O2/c29-24(25(11-4-1-5-12-25)28-14-6-7-15-28)27-23-18-30-17-20(23)16-19-10-13-26-22-9-3-2-8-21(19)22/h2-3,8-10,13,20,23H,1,4-7,11-12,14-18H2,(H,27,29)/t20-,23-/m1/s1
InChIKeyBFNLKWLCDJJUKQ-NFBKMPQASA-N
MW407.56 g/mol
LogP3.71
Rot. Bonds5

About 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide

1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide (PubChem CID 135090695) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
PubChem CID135090695
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C25H33N3O2/c29-24(25(11-4-1-5-12-25)28-14-6-7-15-28)27-23-18-30-17-20(23)16-19-10-13-26-22-9-3-2-8-21(19)22/h2-3,8-10,13,20,23H,1,4-7,11-12,14-18H2,(H,27,29)/t20-,23-/m1/s1
InChIKeyBFNLKWLCDJJUKQ-NFBKMPQASA-N
XLogP3.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide
CID 135089561
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]cyclohexanecarboxamide
CID 134703831
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202
1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134713666
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]-3-(1,2,4-triazol-4-yl)propanamide
CID 134707067
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
4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 135113806
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide (CID 135090695) is 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide is O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1(N2CCCC2)CCCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is BFNLKWLCDJJUKQ-NFBKMPQASA-N. The full InChI is InChI=1S/C25H33N3O2/c29-24(25(11-4-1-5-12-25)28-14-6-7-15-28)27-23-18-30-17-20(23)16-19-10-13-26-22-9-3-2-8-21(19)22/h2-3,8-10,13,20,23H,1,4-7,11-12,14-18H2,(H,27,29)/t20-,23-/m1/s1.
What are the key properties of 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135090695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).