2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine

C20H21N5O3 — CID 133436556

IUPAC2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine
SMILESCc1cc(NCc2cccnc2N2CCOCC2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C20H21N5O3/c1-14-12-17(16-5-2-6-18(25(26)27)19(16)23-14)22-13-15-4-3-7-21-20(15)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,23)
InChIKeyZQYPMRUNSOFSJB-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.30
Rot. Bonds5

About 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine

2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine (PubChem CID 133436556) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine
PubChem CID133436556
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine
SMILESCc1cc(NCc2cccnc2N2CCOCC2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C20H21N5O3/c1-14-12-17(16-5-2-6-18(25(26)27)19(16)23-14)22-13-15-4-3-7-21-20(15)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,23)
InChIKeyZQYPMRUNSOFSJB-UHFFFAOYSA-N
XLogP3.30
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
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-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine
CID 133436327
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436805
2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-8-nitroquinolin-4-amine
CID 133436329
3-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-nitroaniline
CID 122142010
N-[2-(dimethylamino)ethyl]-4-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-3-nitrobenzenesulfonamide
CID 46576670
N-methyl-2-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]benzenesulfonamide
CID 133437263
N-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-8-nitroquinolin-4-amine
CID 133436706
2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine
CID 133436604
2-[(2-methyl-8-nitroquinolin-4-yl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 133436969
1-[4-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133436361
N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-8-nitroquinolin-4-amine
CID 133436364
1-[[3-[[(2-methyl-8-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133436664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine?
The IUPAC name of 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine (CID 133436556) is 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine?
The canonical SMILES for 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine is Cc1cc(NCc2cccnc2N2CCOCC2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine?
The InChIKey is ZQYPMRUNSOFSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14-12-17(16-5-2-6-18(25(26)27)19(16)23-14)22-13-15-4-3-7-21-20(15)24-8-10-28-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,23).
What are the key properties of 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine?
2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine has a molecular weight of 379.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-8-nitroquinolin-4-amine is sourced from PubChem (CID 133436556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).