N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide

C22H28N2O2 — CID 134705202

IUPACN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(16-7-3-1-2-4-8-16)24-21-15-26-14-18(21)13-17-11-12-23-20-10-6-5-9-19(17)20/h5-6,9-12,16,18,21H,1-4,7-8,13-15H2,(H,24,25)/t18-,21-/m1/s1
InChIKeyDQDZCEQCXBVXKK-WIYYLYMNSA-N
MW352.48 g/mol
LogP3.88
Rot. Bonds4

About N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide (PubChem CID 134705202) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
PubChem CID134705202
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCCCC1
InChIInChI=1S/C22H28N2O2/c25-22(16-7-3-1-2-4-8-16)24-21-15-26-14-18(21)13-17-11-12-23-20-10-6-5-9-19(17)20/h5-6,9-12,16,18,21H,1-4,7-8,13-15H2,(H,24,25)/t18-,21-/m1/s1
InChIKeyDQDZCEQCXBVXKK-WIYYLYMNSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
2-oxo-2-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135106936
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135090695
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-N'-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide
CID 135089561
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-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
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 155917194

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide?
The IUPAC name of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide (CID 134705202) is N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide?
The canonical SMILES for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide is O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCCCC1.
What is the InChIKey of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide?
The InChIKey is DQDZCEQCXBVXKK-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-22(16-7-3-1-2-4-8-16)24-21-15-26-14-18(21)13-17-11-12-23-20-10-6-5-9-19(17)20/h5-6,9-12,16,18,21H,1-4,7-8,13-15H2,(H,24,25)/t18-,21-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide?
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide is sourced from PubChem (CID 134705202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).