4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine

C18H22N4O — CID 112912308

IUPAC4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCCc3ccccc32)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22N4O/c1-14-13-17(20-18(19-14)21-9-11-23-12-10-21)22-8-4-6-15-5-2-3-7-16(15)22/h2-3,5,7,13H,4,6,8-12H2,1H3
InChIKeyALNRKOUTWUEIGS-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.71
Rot. Bonds2

About 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine

4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine (PubChem CID 112912308) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine
PubChem CID112912308
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(N2CCCc3ccccc32)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22N4O/c1-14-13-17(20-18(19-14)21-9-11-23-12-10-21)22-8-4-6-15-5-2-3-7-16(15)22/h2-3,5,7,13H,4,6,8-12H2,1H3
InChIKeyALNRKOUTWUEIGS-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Gdc-0349
CID 59239165
4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 11963546
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
(3,5-Dimethyl-adamantan-1-yl)-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 3304180
4-Phenanthridin-6-ylmorpholine
CID 823944
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 1091839
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine (CID 112912308) is 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine is Cc1cc(N2CCCc3ccccc32)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine?
The InChIKey is ALNRKOUTWUEIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-13-17(20-18(19-14)21-9-11-23-12-10-21)22-8-4-6-15-5-2-3-7-16(15)22/h2-3,5,7,13H,4,6,8-12H2,1H3.
What are the key properties of 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine?
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine has a molecular weight of 310.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 112912308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).