N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide

C19H21N5O2 — CID 134707067

IUPACN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
SMILESO=C(CCn1cnnc1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C19H21N5O2/c25-19(6-8-24-12-21-22-13-24)23-18-11-26-10-15(18)9-14-5-7-20-17-4-2-1-3-16(14)17/h1-5,7,12-13,15,18H,6,8-11H2,(H,23,25)/t15-,18-/m1/s1
InChIKeyHKLNHFYCLHCTNO-CRAIPNDOSA-N
MW351.41 g/mol
LogP1.59
Rot. Bonds6

About N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide (PubChem CID 134707067) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
PubChem CID134707067
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
SMILESO=C(CCn1cnnc1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C19H21N5O2/c25-19(6-8-24-12-21-22-13-24)23-18-11-26-10-15(18)9-14-5-7-20-17-4-2-1-3-16(14)17/h1-5,7,12-13,15,18H,6,8-11H2,(H,23,25)/t15-,18-/m1/s1
InChIKeyHKLNHFYCLHCTNO-CRAIPNDOSA-N
XLogP1.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705697
4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
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
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 156584575
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
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135102279
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

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide?
The IUPAC name of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide (CID 134707067) is N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide.
What is the SMILES notation for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide?
The canonical SMILES for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide is O=C(CCn1cnnc1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide?
The InChIKey is HKLNHFYCLHCTNO-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(6-8-24-12-21-22-13-24)23-18-11-26-10-15(18)9-14-5-7-20-17-4-2-1-3-16(14)17/h1-5,7,12-13,15,18H,6,8-11H2,(H,23,25)/t15-,18-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide?
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 134707067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).