[7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate

C15H15ClN2O4 — CID 67749597

IUPAC[7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate
SMILESCC1COCCN1c1cc2ccc(Cl)cc2nc1OC(=O)O
InChIInChI=1S/C15H15ClN2O4/c1-9-8-21-5-4-18(9)13-6-10-2-3-11(16)7-12(10)17-14(13)22-15(19)20/h2-3,6-7,9H,4-5,8H2,1H3,(H,19,20)
InChIKeySLQWBGMSPSAKFQ-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.17
Rot. Bonds2

About [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate

[7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate (PubChem CID 67749597) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate
PubChem CID67749597
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name[7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate
SMILESCC1COCCN1c1cc2ccc(Cl)cc2nc1OC(=O)O
InChIInChI=1S/C15H15ClN2O4/c1-9-8-21-5-4-18(9)13-6-10-2-3-11(16)7-12(10)17-14(13)22-15(19)20/h2-3,6-7,9H,4-5,8H2,1H3,(H,19,20)
InChIKeySLQWBGMSPSAKFQ-UHFFFAOYSA-N
XLogP3.17
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[4-chloro-2-(3-methylmorpholin-4-yl)phenyl]prop-2-enoic acid
CID 114858153
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
4-[7-chloro-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide
CID 164625280
(E)-3-[3-chloro-4-(3-methylmorpholin-4-yl)phenyl]prop-2-enoic acid
CID 81154815
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
N-[[4-chloro-2-(3-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848287
3-(3-methylmorpholin-4-yl)-2-(trifluoromethylsulfonyloxy)quinoxaline-6-carboxylic acid
CID 88880285
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977

Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate?
The IUPAC name of [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate (CID 67749597) is [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate.
What is the SMILES notation for [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate?
The canonical SMILES for [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate is CC1COCCN1c1cc2ccc(Cl)cc2nc1OC(=O)O.
What is the InChIKey of [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate?
The InChIKey is SLQWBGMSPSAKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-9-8-21-5-4-18(9)13-6-10-2-3-11(16)7-12(10)17-14(13)22-15(19)20/h2-3,6-7,9H,4-5,8H2,1H3,(H,19,20).
What are the key properties of [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate?
[7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate has a molecular weight of 322.75 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-(3-methylmorpholin-4-yl)quinolin-2-yl] hydrogen carbonate is sourced from PubChem (CID 67749597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).