N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide

C20H19N3O4 — CID 7064514

IUPACN-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide
SMILESCCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H19N3O4/c1-2-5-17(24)22-18(14-6-3-8-15(12-14)23(26)27)16-10-9-13-7-4-11-21-19(13)20(16)25/h3-4,6-12,18,25H,2,5H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeySWDCNWUXTXPNMJ-GOSISDBHSA-N
MW365.39 g/mol
LogP3.85
Rot. Bonds6

About N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide

N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide (PubChem CID 7064514) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide
PubChem CID7064514
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide
SMILESCCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H19N3O4/c1-2-5-17(24)22-18(14-6-3-8-15(12-14)23(26)27)16-10-9-13-7-4-11-21-19(13)20(16)25/h3-4,6-12,18,25H,2,5H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeySWDCNWUXTXPNMJ-GOSISDBHSA-N
XLogP3.85
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
7-[(R)-[(4-methyl-2-pyridinyl)amino]-(3-nitrophenyl)methyl]quinolin-8-ol
CID 2278455
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
CID 10509772
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(R)-1,3-benzodioxol-5-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]butanamide
CID 2054419
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
CID 2921187
N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865676
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]pentanamide
CID 46499581
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide?
The IUPAC name of N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide (CID 7064514) is N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide.
What is the SMILES notation for N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide?
The canonical SMILES for N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide is CCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide?
The InChIKey is SWDCNWUXTXPNMJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-5-17(24)22-18(14-6-3-8-15(12-14)23(26)27)16-10-9-13-7-4-11-21-19(13)20(16)25/h3-4,6-12,18,25H,2,5H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide?
N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide has a molecular weight of 365.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide is sourced from PubChem (CID 7064514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).