4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide

C22H25N5O4 — CID 126573701

IUPAC4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(O[C@@H]3CCCN(C(=O)c4cnc[nH]4)C3)ccnc2cc1C(N)=O
InChIInChI=1S/C22H25N5O4/c1-13(2)30-20-9-15-17(8-16(20)21(23)28)25-6-5-19(15)31-14-4-3-7-27(11-14)22(29)18-10-24-12-26-18/h5-6,8-10,12-14H,3-4,7,11H2,1-2H3,(H2,23,28)(H,24,26)/t14-/m1/s1
InChIKeyXHXDAOJWPHTFBD-CQSZACIVSA-N
MW423.47 g/mol
LogP2.53
Rot. Bonds6

About 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide

4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide (PubChem CID 126573701) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide.

Molecular Properties

Compound Name4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide
PubChem CID126573701
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide
SMILESCC(C)Oc1cc2c(O[C@@H]3CCCN(C(=O)c4cnc[nH]4)C3)ccnc2cc1C(N)=O
InChIInChI=1S/C22H25N5O4/c1-13(2)30-20-9-15-17(8-16(20)21(23)28)25-6-5-19(15)31-14-4-3-7-27(11-14)22(29)18-10-24-12-26-18/h5-6,8-10,12-14H,3-4,7,11H2,1-2H3,(H2,23,28)(H,24,26)/t14-/m1/s1
InChIKeyXHXDAOJWPHTFBD-CQSZACIVSA-N
XLogP2.53
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1H-imidazol-5-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267691
4-[[(1S)-2-bicyclo[2.2.1]heptanyl]oxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 168854215
butyl 3-(6-carbamoyl-7-propan-2-yloxyisoquinolin-1-yl)oxypiperidine-1-carboxylate
CID 126573738
4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 138726883
4-[[1-(2-cyanoacetyl)piperidin-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 118414802
6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid
CID 126573691
4-[1-(1H-indole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256871
4-[(3aS,6aR)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-6-cyclobutyloxyquinoline-7-carboxamide
CID 138679919
1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 138679948
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126598466
3-(6-methoxycarbonyl-7-propan-2-yloxynaphthalen-1-yl)oxypiperidine-1-carboxylic acid
CID 126573705

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide?
The IUPAC name of 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide (CID 126573701) is 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide.
What is the SMILES notation for 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide?
The canonical SMILES for 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide is CC(C)Oc1cc2c(O[C@@H]3CCCN(C(=O)c4cnc[nH]4)C3)ccnc2cc1C(N)=O.
What is the InChIKey of 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide?
The InChIKey is XHXDAOJWPHTFBD-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-13(2)30-20-9-15-17(8-16(20)21(23)28)25-6-5-19(15)31-14-4-3-7-27(11-14)22(29)18-10-24-12-26-18/h5-6,8-10,12-14H,3-4,7,11H2,1-2H3,(H2,23,28)(H,24,26)/t14-/m1/s1.
What are the key properties of 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide?
4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide is sourced from PubChem (CID 126573701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).