N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide

C24H22N4O2 — CID 75469956

IUPACN-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cn1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C24H22N4O2/c29-24(27-22-8-7-17(15-26-22)16-28-10-12-30-13-11-28)21-14-18-4-1-2-5-19(18)20-6-3-9-25-23(20)21/h1-9,14-15H,10-13,16H2,(H,26,27,29)
InChIKeyVUYUSHSPGHQJFE-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.87
Rot. Bonds4

About N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide

N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide (PubChem CID 75469956) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
PubChem CID75469956
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cn1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C24H22N4O2/c29-24(27-22-8-7-17(15-26-22)16-28-10-12-30-13-11-28)21-14-18-4-1-2-5-19(18)20-6-3-9-25-23(20)21/h1-9,14-15H,10-13,16H2,(H,26,27,29)
InChIKeyVUYUSHSPGHQJFE-UHFFFAOYSA-N
XLogP3.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
N-[4-(pyrazol-1-ylmethyl)phenyl]benzo[f]quinoline-5-carboxamide
CID 55970824
2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 84590222
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
CID 75469948
N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide
CID 78896749
5-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoline-8-carboxamide
CID 89274164
5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide
CID 75469958
1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzimidazole-4-carboxamide
CID 67207570
N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55754135
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532
N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
CID 60610166

Frequently Asked Questions

What is the IUPAC name of N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide (CID 75469956) is N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cn1)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide?
The InChIKey is VUYUSHSPGHQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24(27-22-8-7-17(15-26-22)16-28-10-12-30-13-11-28)21-14-18-4-1-2-5-19(18)20-6-3-9-25-23(20)21/h1-9,14-15H,10-13,16H2,(H,26,27,29).
What are the key properties of N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide?
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 75469956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).