3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide

C25H28N2O4 — CID 134696924

IUPAC3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)ccc1OC(C)C
InChIInChI=1S/C25H28N2O4/c1-16(2)31-23-9-8-18(13-24(23)29-3)25(28)27-22-15-30-14-19(22)12-17-10-11-26-21-7-5-4-6-20(17)21/h4-11,13,16,19,22H,12,14-15H2,1-3H3,(H,27,28)/t19-,22+/m1/s1
InChIKeyBDYJZBRKJMNLQA-KNQAVFIVSA-N
MW420.51 g/mol
LogP4.02
Rot. Bonds7

About 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide

3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 134696924) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID134696924
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)ccc1OC(C)C
InChIInChI=1S/C25H28N2O4/c1-16(2)31-23-9-8-18(13-24(23)29-3)25(28)27-22-15-30-14-19(22)12-17-10-11-26-21-7-5-4-6-20(17)21/h4-11,13,16,19,22H,12,14-15H2,1-3H3,(H,27,28)/t19-,22+/m1/s1
InChIKeyBDYJZBRKJMNLQA-KNQAVFIVSA-N
XLogP4.02
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methoxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135087222
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 156586814
1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide
CID 135098213
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
CID 134711744
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
5-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 135107300
1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide
CID 134708750
1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide
CID 134707923
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 155917194
6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135103951
2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 134712220

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide (CID 134696924) is 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide is COc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is BDYJZBRKJMNLQA-KNQAVFIVSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-16(2)31-23-9-8-18(13-24(23)29-3)25(28)27-22-15-30-14-19(22)12-17-10-11-26-21-7-5-4-6-20(17)21/h4-11,13,16,19,22H,12,14-15H2,1-3H3,(H,27,28)/t19-,22+/m1/s1.
What are the key properties of 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide?
3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 134696924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).