4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline

C19H21N3O — CID 154977988

IUPAC4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline
SMILESNc1ccc(C2=CN3C(=CC2)C=CC=C3N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O/c20-17-7-4-15(5-8-17)16-6-9-18-2-1-3-19(22(18)14-16)21-10-12-23-13-11-21/h1-5,7-9,14H,6,10-13,20H2
InChIKeyXTQHWQPYEZIXGN-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.94
Rot. Bonds2

About 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline

4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline (PubChem CID 154977988) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline.

Molecular Properties

Compound Name4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline
PubChem CID154977988
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline
SMILESNc1ccc(C2=CN3C(=CC2)C=CC=C3N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O/c20-17-7-4-15(5-8-17)16-6-9-18-2-1-3-19(22(18)14-16)21-10-12-23-13-11-21/h1-5,7-9,14H,6,10-13,20H2
InChIKeyXTQHWQPYEZIXGN-UHFFFAOYSA-N
XLogP2.94
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-(6-morpholin-4-ylpyridazin-3-yl)aniline
CID 82048490
chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine
CID 172516519
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
4-(4-amino-4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)aniline
CID 150567909
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 67021827
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline
CID 110282201
[4-[2-(4-aminophenyl)-6-(4-morpholin-4-ylphenyl)selenopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 10886152
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
CID 86710928

Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline?
The IUPAC name of 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline (CID 154977988) is 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline.
What is the SMILES notation for 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline?
The canonical SMILES for 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline is Nc1ccc(C2=CN3C(=CC2)C=CC=C3N2CCOCC2)cc1.
What is the InChIKey of 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline?
The InChIKey is XTQHWQPYEZIXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-17-7-4-15(5-8-17)16-6-9-18-2-1-3-19(22(18)14-16)21-10-12-23-13-11-21/h1-5,7-9,14H,6,10-13,20H2.
What are the key properties of 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline?
4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline has a molecular weight of 307.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-yl-2H-quinolizin-3-yl)aniline is sourced from PubChem (CID 154977988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).