N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide

C25H27N3O3 — CID 54767685

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2cnc3ccccc3c2)c2c(n1)CCCC2
InChIInChI=1S/C25H27N3O3/c29-24-15-31-10-9-22(24)28-25(30)23-13-18(19-6-2-4-8-21(19)27-23)12-16-11-17-5-1-3-7-20(17)26-14-16/h1,3,5,7,11,13-14,22,24,29H,2,4,6,8-10,12,15H2,(H,28,30)/t22-,24-/m0/s1
InChIKeyCQJUBOGEULWXHS-UPVQGACJSA-N
MW417.51 g/mol
LogP2.98
Rot. Bonds4

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide (PubChem CID 54767685) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
PubChem CID54767685
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2cnc3ccccc3c2)c2c(n1)CCCC2
InChIInChI=1S/C25H27N3O3/c29-24-15-31-10-9-22(24)28-25(30)23-13-18(19-6-2-4-8-21(19)27-23)12-16-11-17-5-1-3-7-20(17)26-14-16/h1,3,5,7,11,13-14,22,24,29H,2,4,6,8-10,12,15H2,(H,28,30)/t22-,24-/m0/s1
InChIKeyCQJUBOGEULWXHS-UPVQGACJSA-N
XLogP2.98
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide with MolForge

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Related Compounds

4-[[6-(5-fluoro-3-pyridinyl)-3-pyridinyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 54768007
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(imidazo[1,2-a]pyridin-7-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 54767683
4-bromo-N-(3-hydroxyoxan-4-yl)-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 123669223
N-[(3S,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxamide
CID 134309149
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]quinoline-2-carboxamide
CID 53307086
N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 142503659
7-[[3-fluoro-4-[2-(4-hydroxyphenyl)acetyl]phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 160882252
5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide
CID 53307815
7-[(3-fluoro-4-propanoylphenyl)methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 159519035
7-[[4-(cyclopentylmethylcarbamoyl)-3-fluorophenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 146499960
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2R)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 53307897
8-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 53307455

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide (CID 54767685) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide is O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2cnc3ccccc3c2)c2c(n1)CCCC2.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The InChIKey is CQJUBOGEULWXHS-UPVQGACJSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-24-15-31-10-9-22(24)28-25(30)23-13-18(19-6-2-4-8-21(19)27-23)12-16-11-17-5-1-3-7-20(17)26-14-16/h1,3,5,7,11,13-14,22,24,29H,2,4,6,8-10,12,15H2,(H,28,30)/t22-,24-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-(quinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 54767685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).