7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one

C18H25N3O2 — CID 3169162

IUPAC7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C18H25N3O2/c1-14-3-4-15-12-16(18(22)20-17(15)11-14)13-19-5-2-6-21-7-9-23-10-8-21/h3-4,11-12,19H,2,5-10,13H2,1H3,(H,20,22)
InChIKeyNOOGVLKSGNUGSH-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.65
Rot. Bonds6

About 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one

7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one (PubChem CID 3169162) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
PubChem CID3169162
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c2c1
InChIInChI=1S/C18H25N3O2/c1-14-3-4-15-12-16(18(22)20-17(15)11-14)13-19-5-2-6-21-7-9-23-10-8-21/h3-4,11-12,19H,2,5-10,13H2,1H3,(H,20,22)
InChIKeyNOOGVLKSGNUGSH-UHFFFAOYSA-N
XLogP1.65
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one (CID 3169162) is 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one is Cc1ccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
The InChIKey is NOOGVLKSGNUGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-3-4-15-12-16(18(22)20-17(15)11-14)13-19-5-2-6-21-7-9-23-10-8-21/h3-4,11-12,19H,2,5-10,13H2,1H3,(H,20,22).
What are the key properties of 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one?
7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3169162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).