4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine

C19H21N5O3 — CID 133437248

IUPAC4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(CC2CN(c3cc(C)nc4c([N+](=O)[O-])cccc34)CCO2)c1
InChIInChI=1S/C19H21N5O3/c1-13-9-20-23(10-13)12-15-11-22(6-7-27-15)18-8-14(2)21-19-16(18)4-3-5-17(19)24(25)26/h3-5,8-10,15H,6-7,11-12H2,1-2H3
InChIKeyYFKHVWOZYMHSSQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.86
Rot. Bonds4

About 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine

4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine (PubChem CID 133437248) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
PubChem CID133437248
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(CC2CN(c3cc(C)nc4c([N+](=O)[O-])cccc34)CCO2)c1
InChIInChI=1S/C19H21N5O3/c1-13-9-20-23(10-13)12-15-11-22(6-7-27-15)18-8-14(2)21-19-16(18)4-3-5-17(19)24(25)26/h3-5,8-10,15H,6-7,11-12H2,1-2H3
InChIKeyYFKHVWOZYMHSSQ-UHFFFAOYSA-N
XLogP2.86
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
CID 133437128
1-(2-methyl-8-nitroquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064463
N,N-dimethyl-1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidin-3-amine
CID 133437157
2,2-dimethyl-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
CID 133436658
2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-8-nitroquinolin-4-amine
CID 133437241
2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline
CID 133436763
2-methyl-8-nitro-4-(4-pyrazol-1-ylpiperidin-1-yl)quinoline
CID 133436964
(2R)-4-(7,8-difluoro-2-methylquinolin-4-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 99859516
1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-1-one
CID 133437095
N-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-4-yl]ethanesulfonamide
CID 133437306
2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 133437109
3-[[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]methyl]phenol
CID 133437075

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine (CID 133437248) is 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine is Cc1cnn(CC2CN(c3cc(C)nc4c([N+](=O)[O-])cccc34)CCO2)c1.
What is the InChIKey of 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The InChIKey is YFKHVWOZYMHSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-9-20-23(10-13)12-15-11-22(6-7-27-15)18-8-14(2)21-19-16(18)4-3-5-17(19)24(25)26/h3-5,8-10,15H,6-7,11-12H2,1-2H3.
What are the key properties of 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine has a molecular weight of 367.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-8-nitroquinolin-4-yl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 133437248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).