4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide

C19H17N3O3 — CID 49417398

IUPAC4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1
InChIInChI=1S/C19H17N3O3/c20-18(23)16-11-22(8-9-25-16)19(24)15-10-12-4-1-2-5-13(12)14-6-3-7-21-17(14)15/h1-7,10,16H,8-9,11H2,(H2,20,23)
InChIKeyMPZUXLUNAFHWDZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.71
Rot. Bonds2

About 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide

4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide (PubChem CID 49417398) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
PubChem CID49417398
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1
InChIInChI=1S/C19H17N3O3/c20-18(23)16-11-22(8-9-25-16)19(24)15-10-12-4-1-2-5-13(12)14-6-3-7-21-17(14)15/h1-7,10,16H,8-9,11H2,(H2,20,23)
InChIKeyMPZUXLUNAFHWDZ-UHFFFAOYSA-N
XLogP1.71
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
CID 120526082
benzo[f]quinolin-5-yl-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119579435
benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110893934
[1-(benzo[f]quinoline-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55758585
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 167947336
1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528096
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
4-[2-(2-fluoroanilino)pyridine-3-carbonyl]morpholine-2-carboxamide
CID 49418096
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81211794
[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785012
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401

Frequently Asked Questions

What is the IUPAC name of 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide?
The IUPAC name of 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide (CID 49417398) is 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide is NC(=O)C1CN(C(=O)c2cc3ccccc3c3cccnc23)CCO1.
What is the InChIKey of 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide?
The InChIKey is MPZUXLUNAFHWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-18(23)16-11-22(8-9-25-16)19(24)15-10-12-4-1-2-5-13(12)14-6-3-7-21-17(14)15/h1-7,10,16H,8-9,11H2,(H2,20,23).
What are the key properties of 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide?
4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzo[f]quinoline-5-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 49417398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).