N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide

C19H19N3O2 — CID 156586814

IUPACN-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc[nH]c1
InChIInChI=1S/C19H19N3O2/c23-19(14-5-7-20-10-14)22-18-12-24-11-15(18)9-13-6-8-21-17-4-2-1-3-16(13)17/h1-8,10,15,18,20H,9,11-12H2,(H,22,23)/t15-,18+/m1/s1
InChIKeyYFRHMTWFWAQCGN-QAPCUYQASA-N
MW321.38 g/mol
LogP2.55
Rot. Bonds4

About N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide

N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 156586814) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID156586814
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc[nH]c1
InChIInChI=1S/C19H19N3O2/c23-19(14-5-7-20-10-14)22-18-12-24-11-15(18)9-13-6-8-21-17-4-2-1-3-16(13)17/h1-8,10,15,18,20H,9,11-12H2,(H,22,23)/t15-,18+/m1/s1
InChIKeyYFRHMTWFWAQCGN-QAPCUYQASA-N
XLogP2.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 135094707
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 155917194
5-cyclopropyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 135106187
1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide
CID 134707923
4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide
CID 135098213
3-chloro-4-methoxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135087222
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
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
CID 134711744
1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 135113806
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
CID 134707067

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide (CID 156586814) is N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide is O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc[nH]c1.
What is the InChIKey of N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is YFRHMTWFWAQCGN-QAPCUYQASA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(14-5-7-20-10-14)22-18-12-24-11-15(18)9-13-6-8-21-17-4-2-1-3-16(13)17/h1-8,10,15,18,20H,9,11-12H2,(H,22,23)/t15-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide?
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 156586814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).