(7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C19H20ClN2O2+ — CID 3618283

IUPAC(7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc3cc4ccc(Cl)cc4[nH+]c3o2)C1
InChIInChI=1S/C19H19ClN2O2/c1-11-5-12(2)10-22(9-11)19(23)17-7-14-6-13-3-4-15(20)8-16(13)21-18(14)24-17/h3-4,6-8,11-12H,5,9-10H2,1-2H3/p+1
InChIKeyDBDOKGZMPIHIDF-UHFFFAOYSA-O
MW343.83 g/mol
LogP4.17
Rot. Bonds1

About (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 3618283) has the molecular formula C19H20ClN2O2+ and a molecular weight of 343.83 g/mol. Its IUPAC name is (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID3618283
Molecular FormulaC19H20ClN2O2+
Molecular Weight343.83 g/mol
Exact Mass343.12
IUPAC Name(7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc3cc4ccc(Cl)cc4[nH+]c3o2)C1
InChIInChI=1S/C19H19ClN2O2/c1-11-5-12(2)10-22(9-11)19(23)17-7-14-6-13-3-4-15(20)8-16(13)21-18(14)24-17/h3-4,6-8,11-12H,5,9-10H2,1-2H3/p+1
InChIKeyDBDOKGZMPIHIDF-UHFFFAOYSA-O
XLogP4.17
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
CID 84575451
(3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone
CID 3235923
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 126790453
(2-chloro-4,5-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 29056304
(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646486
6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one
CID 29201274
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide
CID 69229535
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804507

Frequently Asked Questions

What is the IUPAC name of (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 3618283) is (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cc3cc4ccc(Cl)cc4[nH+]c3o2)C1.
What is the InChIKey of (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is DBDOKGZMPIHIDF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClN2O2/c1-11-5-12(2)10-22(9-11)19(23)17-7-14-6-13-3-4-15(20)8-16(13)21-18(14)24-17/h3-4,6-8,11-12H,5,9-10H2,1-2H3/p+1.
What are the key properties of (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 343.83 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chlorofuro[2,3-b]quinolin-9-ium-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 3618283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).