9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline

C18H23N3O2 — CID 143875698

IUPAC9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline
SMILESCOc1ccc2ncc3c(c2c1)N(CC1CCNCC1)CCO3
InChIInChI=1S/C18H23N3O2/c1-22-14-2-3-16-15(10-14)18-17(11-20-16)23-9-8-21(18)12-13-4-6-19-7-5-13/h2-3,10-11,13,19H,4-9,12H2,1H3
InChIKeyOVWAHTPMHKIYDW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.44
Rot. Bonds3

About 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline

9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline (PubChem CID 143875698) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline.

Molecular Properties

Compound Name9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline
PubChem CID143875698
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline
SMILESCOc1ccc2ncc3c(c2c1)N(CC1CCNCC1)CCO3
InChIInChI=1S/C18H23N3O2/c1-22-14-2-3-16-15(10-14)18-17(11-20-16)23-9-8-21(18)12-13-4-6-19-7-5-13/h2-3,10-11,13,19H,4-9,12H2,1H3
InChIKeyOVWAHTPMHKIYDW-UHFFFAOYSA-N
XLogP2.44
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
CID 119931762
(3S)-5-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-3-methyloct-1-en-2-ol;propylcyclohexane
CID 143875933
(3S)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 143875852
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
9-methoxy-N-piperidin-4-yl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-amine
CID 67248305
tert-butyl 3-(methoxycarbamoyl)-4-[2-(9-methoxy-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-1-yl)ethyl]piperidine-1-carboxylate
CID 143875912
1-[[(1S,2S)-2-ethenylcyclohexyl]methyl]-2,3-dihydro-[1,4]oxazino[2,3-c]quinolin-9-ol
CID 143875536
7-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine;hydrochloride
CID 119931834
2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine
CID 68900992
4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine
CID 143492312
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde
CID 142581527
3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
CID 121236492

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline?
The IUPAC name of 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline (CID 143875698) is 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline.
What is the SMILES notation for 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline?
The canonical SMILES for 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline is COc1ccc2ncc3c(c2c1)N(CC1CCNCC1)CCO3.
What is the InChIKey of 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline?
The InChIKey is OVWAHTPMHKIYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-22-14-2-3-16-15(10-14)18-17(11-20-16)23-9-8-21(18)12-13-4-6-19-7-5-13/h2-3,10-11,13,19H,4-9,12H2,1H3.
What are the key properties of 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline?
9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline has a molecular weight of 313.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1-(piperidin-4-ylmethyl)-2,3-dihydro-[1,4]oxazino[2,3-c]quinoline is sourced from PubChem (CID 143875698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).