[1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride

C22H27ClN4O4 — CID 70661954

IUPAC[1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride
SMILESCC(=O)N1c2ccc(-c3ccc(N4CCOCC4)nc3)cc2C(OC(N)=O)CC1C.Cl
InChIInChI=1S/C22H26N4O4.ClH/c1-14-11-20(30-22(23)28)18-12-16(3-5-19(18)26(14)15(2)27)17-4-6-21(24-13-17)25-7-9-29-10-8-25;/h3-6,12-14,20H,7-11H2,1-2H3,(H2,23,28);1H
InChIKeyMGOONXJVKSBRNW-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.29
Rot. Bonds3

About [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride

[1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride (PubChem CID 70661954) has the molecular formula C22H27ClN4O4 and a molecular weight of 446.94 g/mol. Its IUPAC name is [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride.

Molecular Properties

Compound Name[1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride
PubChem CID70661954
Molecular FormulaC22H27ClN4O4
Molecular Weight446.94 g/mol
Exact Mass446.17
IUPAC Name[1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride
SMILESCC(=O)N1c2ccc(-c3ccc(N4CCOCC4)nc3)cc2C(OC(N)=O)CC1C.Cl
InChIInChI=1S/C22H26N4O4.ClH/c1-14-11-20(30-22(23)28)18-12-16(3-5-19(18)26(14)15(2)27)17-4-6-21(24-13-17)25-7-9-29-10-8-25;/h3-6,12-14,20H,7-11H2,1-2H3,(H2,23,28);1H
InChIKeyMGOONXJVKSBRNW-UHFFFAOYSA-N
XLogP3.29
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride?
The IUPAC name of [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride (CID 70661954) is [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride.
What is the SMILES notation for [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride?
The canonical SMILES for [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride is CC(=O)N1c2ccc(-c3ccc(N4CCOCC4)nc3)cc2C(OC(N)=O)CC1C.Cl.
What is the InChIKey of [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride?
The InChIKey is MGOONXJVKSBRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4.ClH/c1-14-11-20(30-22(23)28)18-12-16(3-5-19(18)26(14)15(2)27)17-4-6-21(24-13-17)25-7-9-29-10-8-25;/h3-6,12-14,20H,7-11H2,1-2H3,(H2,23,28);1H.
What are the key properties of [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride?
[1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride has a molecular weight of 446.94 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride is sourced from PubChem (CID 70661954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).