3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline

C29H22N2O4 — CID 71469733

IUPAC3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline
SMILESO=[N+]([O-])c1ccc(-c2c(OCc3ccccc3)nc3ccccc3c2OCc2ccccc2)cc1
InChIInChI=1S/C29H22N2O4/c32-31(33)24-17-15-23(16-18-24)27-28(34-19-21-9-3-1-4-10-21)25-13-7-8-14-26(25)30-29(27)35-20-22-11-5-2-6-12-22/h1-18H,19-20H2
InChIKeySWAYZOIIHWFSPQ-UHFFFAOYSA-N
MW462.51 g/mol
LogP6.97
Rot. Bonds8

About 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline

3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline (PubChem CID 71469733) has the molecular formula C29H22N2O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline.

Molecular Properties

Compound Name3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline
PubChem CID71469733
Molecular FormulaC29H22N2O4
Molecular Weight462.51 g/mol
Exact Mass462.16
IUPAC Name3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline
SMILESO=[N+]([O-])c1ccc(-c2c(OCc3ccccc3)nc3ccccc3c2OCc2ccccc2)cc1
InChIInChI=1S/C29H22N2O4/c32-31(33)24-17-15-23(16-18-24)27-28(34-19-21-9-3-1-4-10-21)25-13-7-8-14-26(25)30-29(27)35-20-22-11-5-2-6-12-22/h1-18H,19-20H2
InChIKeySWAYZOIIHWFSPQ-UHFFFAOYSA-N
XLogP6.97
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid
CID 71469690
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 170322517
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
3-(4-nitrophenyl)-2-phenylmethoxybenzoic acid
CID 70183930
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
5,6,11,12-tetrakis(4-nitrophenyl)tetracene
CID 71427655
N-[2-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]phenyl]acetamide
CID 1303260
1,3-difluoro-5-nitro-2,4,6-tris(phenylmethoxy)benzene
CID 10743231
6-[(4-nitrophenyl)methyl]phenanthridine
CID 154722212
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
3-[[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126410222
(4-nitrophenyl)methyl 2,4-dimethylquinoline-3-carboxylate
CID 8824958

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline?
The IUPAC name of 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline (CID 71469733) is 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline.
What is the SMILES notation for 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline?
The canonical SMILES for 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline is O=[N+]([O-])c1ccc(-c2c(OCc3ccccc3)nc3ccccc3c2OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline?
The InChIKey is SWAYZOIIHWFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O4/c32-31(33)24-17-15-23(16-18-24)27-28(34-19-21-9-3-1-4-10-21)25-13-7-8-14-26(25)30-29(27)35-20-22-11-5-2-6-12-22/h1-18H,19-20H2.
What are the key properties of 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline?
3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline has a molecular weight of 462.51 g/mol, XLogP of 6.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline is sourced from PubChem (CID 71469733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).